Publications in 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2001 2000 1999 1998 1997 1996 1995 1994 1993~ Patents Book Chapters and Reviews Editorial Publications (J. Med. Chem.) Meeting Abstracts  

Peer Reviewed Journal Articles

262

Acasigua GA, Warner KA, Nor F, Helman J, Pearson AT, Fossati AC, Shaomeng Wang, amd Nor JE, BH3-mimetic small molecule inhibits the growth and recurrence of adenoid cystic carcinoma.  Oral Oncol., 2015; Jun 26: S1368-8375(15)00238-9. doi: 10.1016/j.oraloncology.2015.06.004 [Epub ahead of print] full text in PDF

261 Ran X, Zhao Y, Liu L, Bai L, Yang CY, Zhou B, Meagher JL, Chinnaswamy K, Stuckey JA, and Shaomeng Wang, Structure-based design of g-carboline analogues as potent and specific BET bromodomain inhibitors.  J. Med. Chem., 2015; 58(12): 4927-4939. full text in PDF
260 Hoffman-Luca CG, Yang CY, Lu J, Ziazadeh D, and Shaomeng Wang, Significant differences in the development of acquired resistance to the MDM2 inhibitor SAR405838 between in vitro and in vivo drug treatment. PLoS One, 2015;Jun 12; 10(6) e0128807. doi: 10.1371/journal.pone.0128807. full text in PDF
259 Liu L, Bernard D, and Shaomeng Wang, Case study: discovery of inhibitors of the MDM2-p53 protein-protein interaction. Methods Mol. Biol., 2015; 1278: 567-585. full text in PDF
258 Sun Y, Wang Y. Toubai T, Oravecz-Wilson K. Liu C, Mathewson N, Wu J, Rossi C, Cummings E, Wu D, Shaomeng Wang, Reddy P, BET bromodomain inhibition suppresses graft-versus-host disease after allogeneic bone marrow transplantation in mice. Blood, 2015; 125(17): 2724-2728. full text in PDF
257 Hoffman-Luca CG, Ziazadeh D, McEachern D, Zhao Y, Sun W, Debussche L and Shaomeng Wang, Elucidation of acquired resistance to Bcl-2 and MDM2 inhibitors in acute leukemia in vitro and in vivo.  Clin. Cancer Res., 2015; Jun 1, 21(11),2558-2568. full text in PDF
256 Yildiz M, Li H, Bernard D, Amin NA, Ouillette P, Jones S, Saiya-Cork K, Parkin B, Jacobi K, Shedden K, Shaomeng Wang, Chane AE, Kaminski MS, Malek SN, Activating STAT6 mutations in follicular lymphoma. Blood, 2015; 125(4): 668-679. full text in PDF
255 Zhao Y, Aguilar A, Bernard D, and Shaomeng Wang, Small-molecule inhibitors of MDM2-p53 protein-protein interaction (MDM2 inhibitors) in clinical trials for cancer treatment.  J. Med. Chem., 2015; 58(3): 1038-1052. full text in PDF
254 Aguilar A, Sun W, Liu L, Lu J, McEachern D, Bernard D, Deschamps JR, and Shaomeng Wang, Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles.  J. Med. Chem., 2014; 57(24): 10486-10498. full text in PDF
253 Chen J., Jiang C, Levant B, Li X, Zhao T, Wen B, Luo R, Sun D, and Shaomeng Wang, Pramipexole derivtives as potent and selective dopamine D3 receptor antagonists with improved human microsomal stability.  ChemMedChem, 2014;Dec, 9(12): 2653-2660. full text in PDF
252 Shaomeng Wang, Sun W., Zhao Y., McEachern D, Meaux I., Barriere C., Stuckey JA, Meagher JL, Bai L., Liu L., Hoffman-Luca CG, Lu J., Shargary S., Yu S., Bernard D., Aguilar A., Dos-Santos O., Besret L., Guerif S., Pannier P., Gorge-Bernat D., Debussche L., SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression. Cancer Res., 2014; Oct 15, 74(20), 5855-5865. full text in PDF
251 Bai L, Smith DC, and Shaomeng Wang, Small-molecule SMAC mimetics as new cancer therapeutics. Pharmacol. Ther., 2014;Oct; 144(1): 82-95. full text in PDF
250 Bai L, Chen J., McEachern D., Liu L., Zhou H., Angelo A., and Shaomeng Wang, BM-1197: A novel and specific Bcl-2/Bcl-xL inhibitor inducing complete and long-lasting tumor regression in vivo. PLoS One, 2014;Jun 5; 9(6) e99404. doi: 10.1371/journal.pone.0099404. full text in PDF
249 Chen J., Levant B., Jiang C., Keck TM, Newman AH and Shaomeng Wang, Tranylcypromine substituted cis-hydroxycyclobutylnaphthamides as potent and selective dopamine D3 receptor antagonists.  Journal of Medicinal Chemistry, 2014;Jun 12, 57(11), 4962-4968. full text in PDF
248 Asangani IA, Dommeti VL, Wang X, Malik R, Cieslik M, Yang R, Escara-Wilke J, Wilder-Romans K, Dhanireddy S, Engelke C, Iyer MK, Jing X, Wu YM, Cao X, Qin ZA, Wang S, Feng FY, Chinnaiyan AM Therapeutic targeting of BET bromodomain proteins in castration-resistant prostate cancer. Nature, 2014, Jun 12;510: 278-282. doi:10.1038/nature13229.full text in PDF
247 Haiying Sun, Jianfeng Lu, Liu Liu, Chao-Yie Yang and Shaomeng Wang, Potent and selective small-molecule inhibitors of cIAP1/2 proteins reveal that the binding of Smac mimetics to XIAP BIR3 is not required for their effective induction of cell death in tumor cells, ACS Chemical Biology, 2014;Apr 18, 9(4):994-1002. full text in PDF
246 Cao F., Townsend EC, Karatas H., Xu J, Li L., Lee S., Liu L., Chen Y., Ouillette P., Zhu J., Hess JL, Atadja P., Lei M., Qin ZS, Malek S., Wang S, Dou Y. Targeting MLL1 H3K4 methyltransferease activity in mixed-lineage leukemia. Mol. Cell, 2014 Jan 23;53(2): 247-261.full text in PDF

245

Li S., Shen D, Shao J, Crowder R, Liu W, Prat A, He X, Liu S, Hoog J, Lu C, Ding L, Griffith OL, Miller C, Larson D, Fulton RS, Harrison M, Mooney T, McMichael JF, Luo J, Tao Y, Goncalves R, Schlosberg C, Hiken JF, Saied L, Sanchez C, Giuntoli T, Bumb C, Cooper C, Kitchens RT, Lin A, Phommaly C, Davies SR, Zhang J, Kavuri MS, McEachern D, Dong YY, Ma C, Pluard T, Naughton M, Bose R, Suresh R, McDowell R, Michel L, Aft R, Gillanders W, DeSchryver K, Wilson RK, Wang S, Mills GB, Gonzalez-Angulo A, Edwards JR, Maher C, Perou CM, Mardis ER, Ellis MJ. Endocrine-therapy-resistant ESR1 variants revealed by genomic characterization of breast-cancer-derived xenografts. Cell Reports. 2013 Sep 26;4(6):1116-30. doi: 10.1016/j.celrep.2013.08.022. Epub 2013 Sep 19. full text in PDF

244

Li M., Lu LY,Yang CY, Wang S, Yu X. The FHA and BRCT domains recognize ADP-ribosylation during DNA damage response. Genes Dev. 2013 Aug 15;27(16):1752-68. doi: 10.1101/gad.226357.113. full text in PDF

243

Wang LD,  Shaomeng Wang and Sun D. Physiologically Based Pharmacokinetic and Pharmacodynamic Modeling of an Antagonist (SM406/AT-406) of Multiple Inhibitor of Apoptosis Proteins (IAPs) in a Mouse Xenograft Model of Human Breast Cancer. Biopharm. Drug Dispos. 2013; 34: 348-59. full text in PDF

242

Zhang T., Li Y., Zhou P., Yu J.Y.,  McEachern D, Shaomeng Wang and Sun D. Physiologically Based Pharmacokinetic and Pharmacodynamic Modeling of an Antagonist (SM406/AT-406) of Multiple Inhibitor of Apoptosis Proteins (IAPs) in a Mouse Xenograft Model of Human Breast Cancer. Biopharm. Drug Dispos. 2013; 34: 348-59. full text in PDF

241

Xu T., Zhang L., Xu S., Yang C.-Y., Luo J., Ding F., Lu Y., Liu Y., Tu Z., Li S., Pei D., Cai Q., Li H., Ren X., Shaomeng Wang and Ding K. Pyrimidol[4,5-d]Pyrimidin-4(1H)-one Derivatives as Selective Inhibitors of EGFR Threonine790 to Methionine790 (T790M) Mutants. Angew. Chem. Int. Ed. Engl., 2013; 52, 8387-90. full text in PDF

240

Zhao Y., Yu S., Sun W., Liu L., Lu J., McEachern D, Shargary S., Bernard D., Li X., Zhao T., Zhou P., Sun D., and Shaomeng Wang, A Potent Small-Molecule Inhibitor of the MDM2-p53 interaction (MI-888) Achieved Complete and Durable Tumor Regression in Mice. J. Med. Chem., 2013; 56, 5553-5561. full text in PDF

239

Long J., Liu L, Nikolovska-Coleska Z, Shangary S, Yi H, Wang S. Optimization and Validation of Mitochondria-Based Functional Assay as a Useful Tool to Identify BH3-like Molecules Selectively Targeting Anti-Apoptotic Bcl-2 Proteins. BMC Biotechnol., 2013;13(1); 45. full text in PDF

238

Kurokawa M., Kim J., Geradts J., Matsuura K., Liu L, Ran X., Xia W., Ribar T. J., Henao R., Dewhirst M. W., Kim W. J., Lucas J. E., Shaomeng Wang, Spector N. L., and Kornbluth S. A Network of Substrates of the E3 Ubiquitin Ligases MDM2 and HUWE1 control Apoptosis Independently of p53,  Sci. Signal, 2013; 6(274): ra32.full text in PDF

237

Sheng R.,  Sun H., Liu L, Lu J., McEachern D, Wang G., Wen J., Min P., Du Z., Lu H., Kang S., Guo M., Yang D., Wang S. A Potent Bivalent Smac Mimetic (SM-1200) Achieving Rapid, Complete, and Durable Tumor Regression in Mice. J Med Chem. 2013;56(10); 3969-3979.full text in PDF

236

Zhao Y., Liu L., Sun W., Lu J., McEachern D, Li X., Yu S., Denzil B., Ochsenbein P., Ferey V., Carry J.C., Deschamps J. R., Sun D., and Shaomeng Wang, Diastereomeric Spirooxindoles as Highly Potent and Efficacious MDM2 inhibitors.,  Journal of the American Chemical Society, 2013; 135(19):7223-7234.full text in PDF

235

Lai F., Madan N, Ye Q., Duan Q., Li Z., Wang S, Si S. and Xie Z., Identification of a Mutant Alpha1 Na/K-ATPase that Pumps But is Defective in Signal Transduction. J Biol Chem. 2013;288(19); 13295-13304.full text in PDF

234

Aguilar A,  Zhou H, Chen  J, Liu L, Bai L, McEachern D, Yang CY, Meagher JL, Stuckey JA, Wang S. A Potent and Highly Efficacious Bcl-2/Bcl-xL inhibitor. J Med Chem. 2013;56(7); 3048-3067.full text in PDF

233

Wang L.D., Bi X., Song X., Pohl N. M., Cheng Y., Zhou Y., Shears S., Ansong E., Xing M., Shaomeng Wang, Xu X. C., Huang P., Xu L., Fan Z., ZHao X., Dong H., Meltzer S. J., Ding L., and Yang W., Yu X., A sequence variant in the phospholipase C epsilon C2 domain is associated with esophageal carcinoma and esophagitis.  Mol. Carcinog., 2013; in press. full text in PDF

232

Ma T., Chen Y., Zhang F., Yang C.-Y., Shaomeng Wang and Yu X., RNF111-dependent Neddylation Activates DNA Damage-Induced Ubiquitination,  Mol. Cell, 2013; 49(5):897-907.full text in PDF

231

Zhou H., Liu L., Huang J., Bernard D., Karatas H., Navarro A., Lei M., and Shaomeng Wang, Structure-based Design of High-Affinity, High-Affinity Macrocyclic Peptidomimetics to Block the Menin-Mixed Lineage Leukemia 1 (MLL1) Protein-Protein Interaction,  J. Med. Chem., 2013; 56(3):1113-1123.full text in PDF

230

Hacer Karatas, Elizabeth C Townsend, Fang Cao, Yong Chen, Denzil Bernard, Liu Liu, Ming Lei, Yali Dou, and Shaomeng Wang, High-Affinity, Small-Molecule Peptidomimetic Inhibitors of MLL1/WDR5 Protein-Protein Interaction,  Journal of the American Chemical Society, 2013; 135(2):669-682. full text in PDF

229

Chen  J, Zhou H, Aguilar A, Liu L, Bai L, McEachern D, Yang CY, Meagher JL, Stuckey JA, Wang S. Structure-Based Discovery of BM-957 as a Potent Small-Molecule Inhibitor of Bcl-2 and Bcl-xL Capable of Achieving Complete Tumor Regression. J Med Chem. 2012;55(19); 8502-8514. full text in PDF

228

Chen J, Levant B, Wang S. High-affinity and selective dopamine D(3) receptor full agonists. Bioorg Med Chem Lett 2012;22(17):5612-7. full text in PDF

227

Zhou  H, Aguilar A, Chen J, Bai L, Liu L, Meagher JL, Yang CY, McEachern D, Cong X, Stuckey JA, Wang S. Structure-based design of potent Bcl-2/Bcl-xL inhibitors with strong in vivo antitumor activity. J Med Chem 2012;55(13):6149-61. full text in PDF

226

Brunckhorst MK, Lerner D, Wang S, Yu Q. AT-406, an orally active antagonist of multiple inhibitor of apoptosis proteins, inhibits progression of human ovarian cancer. Cancer Biol Ther 2012;13(9); 804-811. full text in PDF

225

Mungamuri SK, Benson EK, Wang S, Gu W, Lee SW, Aaronson SA. p53-mediated heterochromatin reorganization regulates its cell fate decisions. Nat. Struct. Mol. Biol. 2012, 19(5), 478-484. full text in PDF

224

Haibin Zhou, Jianfang Chen, Jennifer L. Meagher, Chao-Yie Yang, Angelo Aguilar, Liu Liu, Longchuan Bai, Xin Cong, Qian Cai, Xueliang Fang, Jeanne A. Stucke and Shaomeng Wang. Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J. Med. Chem. 2012 , 55(10), 4664-4682. full text in PDF

223

Chao-Yie Yang and Shaomeng Wang. Analysis of Flexibility and Hotspots in Bcl-xL and Mcl-1 Proteins for the Design of Selective Small-Molecule Inhibitors. ACS Med. Chem. Lett. 2012, 3 (4), 308-312. full text in PDF

222

Bai L, McEachern D, Yang CY, Lu J, Sun H, Wang S. LRIG1 Modulates Cancer Cell Sensitivity to Smac Mimetics by Regulating TNFα Expression and Receptor Tyrosine Kinase Signaling. Cancer Res. 2012, 72, 1229-1238.full text in PDF

221

Chen Z, Sheng L, Shen H, Zhao Y, Wang S, Brink R, Rui L. Hepatic TRAF2 Regulates Glucose Metabolism Through Enhancing Glucagon Responses. Diabetes 2012;61(3):566-73. full text in PDF

220 Monique Verhaegen, Agnieszka Checinska, Mary Beth Riblett, Shaomeng Wang and María S. Soengas, E2F1-Dependent Oncogenic Addiction of Melanoma Cells to MDM2. Oncogene, 2012;31(7):828-41. full text in PDF
219

Kawamoto SA, Coleska A, Ran X, Yi H, Yang CY, Wang S. Design of Triazole-Stapled BCL9 α-Helical Peptides to Target the β-Catenin/B-Cell CLL/lymphoma 9 (BCL9) Protein-Protein Interaction. J Med. Chem. 2012;55(3):1137-46. full text in PDF

218

Imai A, Zeitlin BD, Visioli F, Dong Z, Zhang Z, Krishnamurthy S, Light E, Worden F, Wang S, Nör JE. Metronomic Dosing of BH3 Mimetic Small Molecule Yields Robust Antiangiogenic and Antitumor Effects. Cancer Res. 2012; 72(3):716-725. full text in PDF

217

Collins GT, Cunningham AR, Chen J, Wang S, Newman AH, Woods JH. Effects of pramipexole on the reinforcing effectiveness of stimuli that were previously paired with cocaine reinforcement in rats. Psychopharmacology (Berl). 2012;219(1):123-35. full text in PDF

216

Yang D, Zhao Y, Li AY, Wang S, Wang G, Sun Y. Smac-mimetic compound SM-164 induces radiosensitization in breast cancer cells through activation of caspases and induction of apoptosis.  Breast Cancer Res Treat. 2012, 133, 189-199. full text in PDF

215

Yuefeng Peng, Haiying Sun, Jianfeng Lu, Liu Liu, Qian Cai, Rong Shen, Chao-Yie Yang, Han Yi, and Shaomeng Wang, Bivalent Smac Mimetics with a Diazabicyclic Core as Highly Potent Antagonists of XIAP and cIAP1/2 and Novel Anticancer Agents. J. Med. Chem. 2012;55(1):106-14. full text in PDF

214

James B. Dunbar, Jr., Richard D. Smith, Chao-Yie Yang, Peter Man-Un Ung, Katrina W. Lexa, Nickolay A. Khazanov, Jeanne A. Stuckey, Shaomeng Wang, and Heather A. Carlson, CSAR Benchmark Exercise of 2010: Selection of the Protein–Ligand Complexes, J. Chem. Inf. Model, 2011, 51 (9), 2036–2046.full text in PDF

213

Du Y., Nikolovska-Coleska Z, Qui M, Li L, Lewis I, Dingledine R, Stuckey JA, Krajewski K, Roller PP, Wang S, Fu H. A dual-readout F2 assay that combines fluorescence resonance energy transfer and fluorescence polarization for monitoring bimolecular interactions. Assay Drug Dev Technol. 2011;9(4):382-93.full text in PDF

212

Richard D. Smith, James B. Dunbar, Jr., Peter Man-Un Ung, Emilio X. Esposito, Chao-Yie Yang, Shaomeng Wang, and Heather A. Carlson, CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions, J. Chem. Inf. Model., 2011, 51 (9), 2115–2131. full text in PDF

211

Jianyong Chen, Gregory T. Collins, Beth Levant, James Woods, Jeffrey R. Deschamps and Shaomeng Wang, CJ-1639: A Potent and Highly Selective Dopamine D3 Receptor Full Agonist, ACS Medicinal Chemistry Letters, 2011; 2(8), 620-625. full text in PDF

210

Chao-Yie Yang and Shaomeng Wang, Hydrophobic Binding Hot Spots of Bcl-xL Protein−Protein Interfaces by Cosolvent Molecular Dynamics Simulation, ACS Medicinal Chemistry Letters, 2011, 2, 280-284. full text in PDF

209

Jianfeng Lu, Donna McEachern, Haiying Sun, Longchuan Bai, Yuefeng Peng, Su Qiu, Rebecca Miller, Jinhui Liao, Han Yi, Meilan Liu Anita Bellail, Chunhai Hao, Shi-Yong Sun, Adrian T. Ting, and Shaomeng Wang, Therapeutic potential and molecular mechanism of a novel, potent, non-peptide, Smac mimetic SM-164 in combination with TRAIL for cancer treatment, Molecular Cancer Therapeutics, 2011;10(5):902-14. full text in PDF

208

Haiying Sun, Liu Liu, Jianfeng Lu, Longchuan Bai, Xiaoqin Li, Zaneta Nikolovska-Coleska,  Chao-Yie Yang, Su Qiu, Han Yi, Duxin Sun and Shaomeng Wang, Potent Bivalent Smac Mimetics: Effect of the Linker on Binding to IAP Proteins and Anticancer Activity, Journal of Medicinal Chemistry, 2011;54(9):3306-18. full text in PDF

207

Qian Cai, Haiying Sun, Yuefeng Peng, Jianfeng Lu, Zaneta Nikolovska-Coleska, Donna McEachern, Liu Liu, Su Qiu, Chao-Yie Yang, Rebecca Miller, Han Yi, Tao Zhang, Duxin Sun, Sanmao Kang, Ming Guo, Lance Leopold, Dajun Yang, Shaomeng Wang, A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment. Journal of Medicinal Chemistry, 2011;54(8):2714-26. full text in PDF

206 A S Azmi, P A Philip, F W J Beck, Z Wang, S Banerjee, S Wang, D Yang F H Sarkar and R M Mohammad, MI-219-zinc combination: a new paradigm in MDM2 inhibitor-based therapy. Oncogene, 2011;30 :117-126. full text in PDF
205

Yang, J., McEachern D, Li W, Davis MA, Li H, Morgan MA, Bai L, Sebolt JT, Sun H, Lawrence TS, Wang S, Sun Y. Radiosensitization of head and neck squamous cell carcinoma by a SMAC-mimetic compound, SM-164, requires activation of caspases. Mol Cancer Ther. 2011;10(4):658-69. full text in PDF

204

Zheng N, Zou P, Wang S, Sun D. In vitro metabolism of 17-(dimethylaminoethylamino)-17-demethoxygeldanamycin in human liver microsomes. Drug Metab. Dispos. 2011;39(4):627-35. full text in PDF

203

Collins GT, Truong YN, Levant B, Chen J, Wang S, Woods JH. Behavioral sensitization to cocaine in rats: evidence for temporal differences in dopamine D(3) and D (2) receptor sensitivity. Psychopharmacology (Berl). 2011; 215(4), 609-620. full text in PDF

202

Schteingart DE, Benitez R, Bradford C, Narayan A, Wang S. Expression of anti-apoptosis genes determines the response of adrenal cancer to apoptosis-inducing chemotherapy, Anticancer Research, 2010;30(12):4805-4809. full text in PDF

201 H. H. Cheung, S. T. Beug, M. St. Jean, A. Brewster, N. Lynn Kelly, Shaomeng Wang and R. G. Korneluk, Smac mimetic compounds potentiate interleuken-1beta-mediated cell death., J Biol Chem. 2010; 28740612-40623. full text in PDF
200

Zheng M, Yang J, Xu X, Sebolt JT, Wang S, Sun Y. Efficacy of MDM2 inhibitor MI-219 against lung cancer cells alone or in combination with MDM2 knockdown, a XIAP inhibitor or etoposide, Anticancer Research, 2010;30(9):3321-3331. full text in PDF

199

Zeitlin BD, Spalding AC, Campos MS, Ashimori N, Dong Z, Wang S, Lawrence TS, Nör JE. Metronomic small molecule inhibitor of Bcl-2 (TW-37) is antiangiogenic and potentiates the antitumor effect of ionizing radiation. Int J Radiat Oncol Biol Phys. 2010;78(3):879-87.full text in PDF

198

Zou P, Yu Y, Wang YA, Zhong Y, Welton A, Galbán C, Wang S, Sun D. Superparamagnetic Iron Oxide Nanotheranostics for Targeted Cancer Cell Imaging and pH-Dependent Intracellular Drug Release. Mol Pharm. 2010,7(6), 1974-84. full text in PDF

197

McGregor N, Patel L, Craig M, Weidner S, Wang S, Pienta KJ. AT-101 (R-(-)-gossypol acetic acid) enhances the effectiveness of androgen deprivation therapy in the VCaP prostate cancer model. J Cell Biochem. 2010; 110(5):1187-94. full text in PDF

196

Yiqun Jiang, Denzil Bernard, Yanke Yu, Yehua Xie, Tao Zhang, Yanyan Li, Joseph P. Burnett, Xueqi Fu, Shaomeng Wang and Duxin Sun, Split Renilla Luciferase Protein Fragment-assisted Complementation (SRL-PFAC) to Characterize Hsp90-Cdc37 Complex and Identify Critical Residues in Protein/Protein Interactions, J Biol Chem. 2010; 285(27):21023-36. full text in PDF

195

H. Sun , J. Lu, L. Liu, H. Yi, S. Qiu, C.-Y. Yang, J. R. Deschamps and Shaomeng Wang, Non-peptidic and potent small-molecule inhibitor s of cIAP-1/2 and XIAP proteins. J. Med. Chem. 2010;53(17):6361-7. full text in PDF

194

Karatas H, Townsend EC, Bernard D, Dou Y, Wang S. Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction. J Med Chem. 2010;53(14):5179-85. full text in PDF

193

Jianting Long, Brian Parkin, Peter Ouillette, Dale Bixby, Kerby Shedden, Harry Erba, Shaomeng Wang, and Sami N. Malek, Multiple distinct molecular mechanisms influence sensitivity and resistance to MDM2 inhibitors in adult acute myelogenous leukemia, Blood, 2010;116(1):71-80. full text in PDF

192

Haiying Sun, Liu Liu, Jianfeng Lu, Su Qiu, Chao-Yie Yang, Han Yi and Shaomeng Wang, Cyclopeptide Smac Mimetics as Antagonists of IAP Proteins, Bioorganic & Medicinal Chemistry Letters, 2010 May 15;20(10):3043-6. full text in PDF

191

Chao-Yie Yang and Shaomeng Wang, Computational Analysis of Protein Hotspots, ACS Med. Chem. Lett., 2010, 1 (3), 125–129. full text in PDF

190

Azmi AS, Aboukameel A, Banerjee S, Wang Z, Mohammad M, Wu J, Sosin A, Wu S, Wang S, Yang D, Philip PA, Sarkar FH, Mohammad RM, MDM2 inhibitor MI-319 in combination with cisplatin is an effective treatment for pancreatic cancer independent of p53 function. Eur. J. Cancer 2010 ;46(6):1122-1131. full text in PDF

189

Jianyong Chen, Longchuan Bai, Denzil Bernard, Zaneta Nikolovska-Coleska, Cindy Gomez, Jian Zhang, Han Yi and Shaomeng Wang, Structure-Based Design of Conformationally Constrained, Cell-Permeable STAT3 Inhibitors, ACS Med. Chem. Lett, 2010 May 13;1(2):85-89. full text in PDF

188

Cindy Gomeza, Jianyong Chen and Shaomeng Wang, Efficient synthesis of phosphotyrosine building blocks using imidazolium trifluoroacetate, Tetrahedron Letters, 2009, 50, 6691-6692. full text in PDF

187

Canner JA, Sobo M, Ball S, Hutzen B, DeAngelis S, Willis W, Studebaker AW, Ding K, Wang S, Yang D, Lin J. MI-63: a novel small-molecule inhibitor targets MDM2 and induces apoptosis in embryonal and alveolar rhabdomyosarcoma cells with wild-type p53. Br J Cancer. 2009;101(5):774-81. full text in PDF

186

Mohammad RM, Wu J, Azmi AS, Aboukameel A, Sosin A, Wu S, Yang D, Wang S, Al-Katib AM. An MDM2 antagonist (MI-319) restores p53 functions and increases the life span of orally treated follicular lymphoma bearing animals. Mol Cancer. 2009 ;8:115. full text in PDF

185

Collins GT, Truccone A, Haji-Abdi F, Newman AH, Grundt P, Rice KC, Husbands SM, Greedy BM, Enguehard-Gueiffier C, Gueiffier A, Chen J, Wang S, Katz JL, Grandy DK, Sunahara RK, Woods JH. Proerectile effects of dopamine D2-like agonists are mediated by the D3 receptor in rats and mice. J Pharmacol Exp Ther. 2009;329(1):210-7. full text in PDF

184

Ashimori N, Zeitlin BD, Zhang Z, Warner K, Turkienicz IM, Spalding AC, Teknos TN, Wang S, Nör JE. TW-37, a small-molecule inhibitor of Bcl-2, mediates S-phase cell cycle arrest and suppresses head and neck tumor angiogenesis. Mol Cancer Ther. 2009 ;8(4):893-903. full text in PDF

183

Wang Z, Zheng M, Li Z, Li R, Jia L, Xiong X, Southall N, Wang S, Xia M, Austin CP, Zheng W, Xie Z, Sun Y. Cardiac glycosides inhibit p53 synthesis by a mechanism relieved by Src or MAPK inhibition. Cancer Research. 2009, 69(16):6556-64. full text in PDF

182

Yu S, Qin D, Shangary S, Chen J, Wang G, Ding K, McEachern D, Qiu S, Nikolovska-Coleska Z, Miller R, Kang S, Yang D, Wang S. Potent and orally active small-molecule inhibitors of the MDM2-p53 interaction. J Med Chem 2009, 52(24):7970-3. full text in PDF

181

Yang CY, Sun H, Chen J, Nikolovska-Coleska Z, Wang S. Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction. J Am Chem Soc. 2009, 131(38):13709-13721. full text in PDF

180

Kawamoto SA, Thompson AD, Coleska A, Nikolovska-Coleska Z, Yi H, Wang S. Analysis of the interaction of BCL9 with beta-catenin and development of fluorescence polarization and surface plasmon resonance binding assays for this interaction. Biochemistry. 2009, 48(40):9534-9341. full text in PDF

179

Wei Sun, Zaneta Nikolovska-Coleska, Dongguang Qin, Haiying Sun, Chao-Yie Yang, Longchuang Bai, Su Qiu, Dawei Ma and Shaomeng Wang*, Design, Synthesis and Evaluation of Potent, Non-Peptidic Mimetics of Second Mitochondria-derived Activator of Caspases, J Med Chem. 2009 12;52(3):593-596. full text in PDF

178

Gomez C, Bai L, Zhang J, Nikolovska-Coleska Z, Chen J, Yi H, Wang S. Design, synthesis, and evaluation of peptidomimetics containing Freidinger lactams as STAT3 inhibitors. Bioorg Med Chem Lett. 2009, 19, 1733-1736. full text in PDF

177

Zhang B, Nikolovska-Coleska Z, Zhang Y, Bai L, Qiu S, Yang CY, Sun H, Wang S, Wu Y. Design, Synthesis and Evaluation of Tricyclic, Conformationally Constrained Small-Molecule Mimetics of Second Mitochondria-derived Activator of Caspases, Journal of Medicinal Chemistry, 2008, 23, 7352–7355. full text in PDF

176

Peng Y, Sun H, Nikolovska-Coleska Z, Qiu S, Yang CY, Lu J, Cai Q, Yi H, Kang S, Yang D, Wang S. Potent, Orally Bioavailable Diazabicyclic Small-Molecule Mimetics of Second Mitochondria-Derived Activator of Caspases, Journal of Medicinal Chemistry, 2008, 51, 8158-62. full text in PDF

175

Sun H, Stuckey JA, Nikolovska-Coleska Z, Qin D, Meagher JL, Qiu S, Lu J, Yang CY, Saito NG, Wang S. Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-linked Inhibitor of Apoptosis Protein (XIAP). Journal of Medicinal Chemistry, 2008, 51, 7169–7180. full text in PDF

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Macoska JA, Adsule S, Tantivejkul K, Wang S, Pienta KJ, Lee CT. -(-)Gossypol promotes the apoptosis of bladder cancer cells in vitro. Pharmacol Res. 2008, 58(5-6):323-31. full text in PDF

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Sun H, Nikolovska-Coleska Z, Yang CY, Qian D, Lu J, Qiu S, Bai L, Peng Y, Cai Q, Wang S. Design of small-molecule peptidic and nonpeptidic Smac mimetics. Acc Chem Res. 2008, 41, 1264-77. full text in PDF

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Azmi AS, Wang Z, Burikhanov R, Rangnekar VM, Wang G, Chen J, Wang S, Sarkar FH, Mohammad RM. Critical role of prostate apoptosis response-4 in determining the sensitivity of pancreatic cancer cells to small-molecule inhibitor-induced apoptosis. Mol Cancer Ther. 2008, 7, 2884-93. full text in PDF

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Zaneta Nikolovska-Coleska,Jennifer L, Meagher, Sheng Jiang, Chao-yie Yang, Su Qiu, Peter P. Roller, Jeanne A. Stuckey, Wang, S. Interaction of Cyclic, bivalent smac mimetic with X-linked inhibitor of apoptosis protein(XIAP). Biochemistry 2008,47, 9811-24. full text in PDF

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Sun Y, Wu J, Aboukameel A, Banerjee S, Arnold AA, Chen J, Nikolovska-Coleska Z, Lin Y, Ling X, Yang D, Wang S, Al-Katib A, Mohammad RM. Apogossypolone, a nonpeptidic small molecule inhibitor targeting Bcl-2 family proteins, effectively inhibits growth of diffuse large cell lymphoma cells in vitro and in vivo. Cancer Biol Ther. 2008, 7, 1418-26. full text in PDF

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J. Lu, L. Bai, H. Sun, Z. Nikolovska-Coleska, D. McEachern, S. Qiu, R. S. Miller, H. Yi, S. Shangary, Y. Sun, J. L. Meagher, J. A. Stuckey, S. Wang, SM-164: A novel, bivalent Smac mimetic induces apoptosis and tumor regression by concurrent removal of the blockade of cIAP-1/2 and XIAP. Cancer Research 2008, 68, 9384-93. full text in PDF

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J. Chen, G. T. Collins, J. Zhang, C.-Y. Yang, B. Levant, J. Woods, S. Wang, Design, Synthesis and Evaluation of Potent and Selective Ligands for the Dopamine 3 (D3) Receptor with a Novel in vivo Behavioral Profile. J Med Chem. 2008, 51, 5905-5908.full text in PDF

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Boehm AL, Sen M, Seethala R, Gooding WE, Freilino M, Wong SM, Wang, S.,Johnson DE, Grandis JR. Combined targeting of epidermal growth factor receptor, signal transducer and activator of transcription-3, and Bcl-X(L) enhances antitumor effects in squamous cell carcinoma of the head and neck. Mol Pharmacol. 2008, 73, (6), 1632-42. full text in PDF

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Arnold AA, Aboukameel A, Chen J, Yang D, Wang, S.,Al-Katib A, Mohammad RM. Preclinical studies of Apogossypolone: a new nonpeptidic pan small-molecule inhibitor of Bcl-2, Bcl-XL and Mcl-1 proteins in Follicular Small Cleaved Cell Lymphoma model. Mol. Cancer, 2008, 7,20, full text in PDF

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Sun SH, Zheng M, Ding K, Wang, S., Sun Y. A small molecule that disrupts Mdm2-p53 binding activates p53, induces apoptosis, and sensitizes lung cancer cells to chemotherapy. Cancer Biol Ther. 2008, 7, (6), 845-852. full text in PDF

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Sikora MJ, Bauer JA, Verhaegen M, Belbin TJ, Prystowsky MB, Taylor JC, Brenner JC, Wang, S., Soengas MS, Bradford CR, Carey TE. Anti-oxidant treatment enhances anti-tumor cytotoxicity of (-)-gossypol. Cancer Biol Ther. 2008, 7, (5), 767-776. full text in PDF

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Bixby D, Kujawski L, Wang, S.,Malek SN. The pre-clinical development of MDM2 inhibitors in chronic lymphocytic leukemia uncovers a central role for p53 status in sensitivity to MDM2 inhibitor-mediated apoptosis. Cell Cycle. 2008, 7, (8), 971-979. full text in PDF

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Wang Z, Song W, Aboukameel A, Mohammad M, Wang G, Banerjee S, Kong D, Wang, S., Sarkar FH, Mohammad RM. TW-37, a small-molecule inhibitor of Bcl-2, inhibits cell growth and invasion in pancreatic cancer. Int J Cancer, 2008, 123, (4), 958-966. full text in PDF

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Shangary S, Ding K, Qiu S, Nikolovska-Coleska Z, Bauer JA, Liu M, Wang G, Lu Y, McEachern D, Bernard D, Bradford CR, Carey TE, Wang, S.; Reactivation of p53 by a specific MDM2 antagonist (MI-43) leads to p21-mediated cell cycle arrest and selective cell death in colon cancer. Mol Cancer Ther. 2008, 7, (6), 1533-1542. full text in PDF

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Toulany M, Kehlbach R, Florczak U, Sak A, Wang, S., Chen J, Lobrich M, Rodemann HP. Targeting of AKT1 enhances radiation toxicity of human tumor cells by inhibiting DNA-PKcs-dependent DNA double-strand break repair. Mol Cancer Ther. 2008, 7, (7), 1772-1781. full text in PDF

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Zaneta Nikolovska-Coleska.; Jennifer L.Meagher.; Sheng Jiang.; Steven A. Kawamoto.; Wei Gao.; Han Yi.; Dongguang Qin.; Peter P. Roller.; Jeanne A. Stuckey, Wang, S.; Design and characterization of bivalent Smac-based peptides as antagonists of XIAP and development and validation of a fluorescence polarization assay for XIAP containing both BIR2 and BIR3 domains. Anal Biochem, 2008, 374, 87-98. full text in PDF

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Shangary S, Qin D, McEachern D, Liu M, Miller RS, Qiu S, Nikolovska-Coleska Z, Ding K, Wang G, Chen J, Bernard D, Zhang J, Lu Y, Gu Q, Shah RB, Pienta KJ, Ling X, Kang S, Guo M, Sun Y, Yang D, Wang, S.; Temporal activation of p53 by a specific MDM2 inhibitor is selectively toxic to tumors and leads to complete tumor growth inhibition. Proc Natl Acad Sci U S A. 2008, 105, (10), 3933-3938. full text in PDF

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Chris Saddler.; Peter Ouillette.; Lisa Kujawski.; Sanjeev Shangary.; Moshe Talpaz.; Mark Kaminski.; Harry Erba.; Kerby Shedden, Wang, S., Sami N Malek. Comprehensive biomarker and genomic analysis identifies P53 status as the major determinant of response to MDM2 inhibitors in chronic lymphcytic leukemia. Blood 2008, 111, (3), 1584-1593. full text in PDF

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Tang G, Nikolovska-Coleska Z, Qiu S, Yang CY, Guo J, Wang, S.; Acylpyrogallols as inhibitors of antiapoptotic Bcl-2 proteins. J Med Chem. 2008, 51, (4), 717-720. full text in PDF

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Joshua A. Bauer.; Bhavna Kumar.; Kitrina G. Cordell.; Mark E. Prince.; Huong H. Tran.; Gregory T. Wolf.; Douglas B. Chepeha.; Theodoros N. Teknos.; Steven Wang.; Avraham Eisbruch.; Christina I. Tsien.; Susan G. Urba.; Francis P. Worden.; Julia Lee.; Kent A. Griffith.; Jeremy M.G. Taylor.; Nisha D'Silva.; Wang, S.; Keith G. Wolter.; Bradley Henson.; Susan G. Fisher.; Thomas E. Carey .; Carol R. Bradford. Targeting Apoptosis to Overcome Cisplatin Resistance: A Translational Study in Head and Neck Cancer Int J Radiat Oncol Biol Phys 2007, 69, (2 Suppl), S106-8 full text in PDF

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Wolter KG.; Verhaegen M.; Fernández Y.; Nikolovska-Coleska Z.; Riblett M.; de la Vega CM.;Wang, S.;Soengas MS. Therapeutic window for melanoma treatment provided by selective effects of the proteasome on Bcl-2 proteins Cell Death Differ 2007, 14, (9),15279-15294. full text in PDF

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Anna L. Bowman.; Zaneta Nikolovska-Coleska.; Haizhen Zhong.;Wang, S.;Heather A. Carlson. Small Molecule Inhibitors of the MDM2-p53 Interaction Discovered by Ensemble-Based Receptor Models. J. Am. Chem. Soc 2007, 129, (42),12809 -12814. full text in PDF

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Haiying Sun.; Zaneta Nikolovska-Coleska.; Jianfeng Lu.; Jennifer L. Meagher.; Chao-Yie Yang.; Su Qiu.; York Tomita.; Yumi Ueda.; Sheng Jiang.; Krzysztof Krajewski.; Peter P. Roller.; Jeanne A. Stuckey.;Wang, S. Synthesis and Characterization of A Potent, Non-Peptide, Cell-Permeable, Bivalent Smac Mimetic that Concurrently Targets both the BIR2 and BIR3 Domains in XIAP J. Am. Chem. Soc 2007, 129, (49),15279-15294. full text in PDF

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Collins GT.; Newman AH.; Grundt P.; Rice KC.; Husbands SM.; Chauvignac C.; Chen J.;Wang, S.;Woods JH. Yawning and hypothermia in rats: effects of dopamine D3 and D2 agonists and antagonists. Psychopharmacology 2007, 193, (2), 159-170. full text in PDF

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Chen J.; Nikolovska-Coleska Z,; Yang CY; Gomez C; Gao W.; Krajewski K.; Jiang S.; Roller P.;Wang, S. Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry Bioorg Med Chem Lett 2007, 17, (14), 3939-3942. full text in PDF

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Sadowsky, J. D.; Fairlie, W. D.; Hadley, E. B.; Lee, H. S.; Umezawa, N.; Nikolovska-Coleska, Z.; Wang, S.; Huang, D. C. S.; Tomita, Y.; Gellman, S. H., (alpha/beta+alpha)-Peptide antagonists of BH3 Domain/Bcl-x(L) recognition: Toward general strategies for foldamer-based inhibition of protein-protein interactions. Journal of the American Chemical Society 2007, 129, (1), 139-154. full text in PDF

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Tang, G.; Yang, C.; Nikolovska-Coleska, Z.; Guo, J.; Qiu, S.; Wang, R.; Gao, W.; Wang, G.; Stuckey, J.; Krajewski, K.; Jiang, S.; Roller, P. P.; Wang, S., Pyrogallol-based molecules as potent inhibitors of the antiapoptotic Bcl-2 proteins. Journal of Medicinal Chemistry 2007, 50, (8), 1723-1726. full text in PDF

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Mohammad, R. M.; Goustin, A. S.; Aboukameel, A.; Chen, B.; Banerjee, S.; Wang, G.; Nikolovska-Coleska, Z.; Wang, S.; Al-Katibl, A., Preclinical studies of TW-37, a new nonpeptidic small-molecule inhibitor of Bcl-2, in diffuse large cell lymphoma xenograft model reveal drug action on both Bcl-2 and Mcl-1. Clinical Cancer Research 2007, 13, (7), 2226-2235. full text in PDF

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Lu, Y.; Wang, R.; Yang, C.; Wang, S., Analysis of ligand-bound water molecules in high-resolution crystal structures of protein-ligand complexes. Journal of Chemical Information and Modeling 2007, 47, (2), 668-675. full text in PDF

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Zhang, M.; Fang, X.; Liu, H.; Wang, S.; Yang, D., Blockade of AKT activation in prostate cancer cells with a small molecule inhibitor, 9-chloro-2-methylellipticinium acetate (CMEP). Biochemical Pharmacology 2007, 73, (1), 15-24. full text in PDF

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Zhang, M.; Ling, Y.; Yang, C-Y.; Liu, H.; Wang, R.; Wu, X.; Ding, K.; Zhu, F.; Griffith, B. N.; Mohammad, R. M.; Wang, S.; Yang, D. A novel Bcl-2 small molecule inhibitor 4-(3-methoxy-phenylsulfannyl)-7-nitro-benzofurazan-3-oxide (MNB)-induced apoptosis in leukemia cells. Annals of Hematology 2007, 86, (7), 471-481. full text in PDF

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Zhang, M.; Fang, X.; Liu, H.; Guo, R.; Wu, X.; Li, B.; Zhu, F.; Ling, Y.; Griffith, B. N.; Wang, S.; Yang, D. Bioinformatics-based discovery and characterization of an AKT-selective Inhibitor 9-Chloro-2-Methylellipticinium Acetate (CMEP) in breast cancer cells. Cancer Letters. 2007, 252, 244-258. full text in PDF

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Pamarthy, D.; Tan, M.; Wu, M.; Chen, J.;; Yang, D.; Wang, S.; Zhang, H.; Sun, Y. p27 degradation by an ellipticinium series of compound via ubiquitin-proteasome pathway. Cancer Biology & Therapy 2007, 6, 360-366. full text in PDF

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Guozhi,Tang.; Ke, Ding.; Zaneta Nikolovska-Coleska; Chao-Yie,Yang.; Su, Qiu.; Sanjeev Shangary; Renxiao, Wang.; Jie, Guo.; Jennifer Meagher; Jeanne Stuckey; Krzysztof Krajewski; Sheng Jiang; Peter P. Roller; Wang, S. Structure-Based Design of Flavonoid Compounds As a New Class of Small-Molecule Inhibitors of the Anti-apoptotic Bcl-2 Proteins. Journal of Medicinal Chemistry 2007, 50, 3163-3166 full text in PDF

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Verhaegen, M.; Bauer, J. A.; de la Vega, C. M.; Wang, G.; Wolter, K. G.; Brenner, J. C.; Nikolovska-Coleska, Z.; Bengtson, A.; Nair, R.; Elder, J. T.; Van Brocklin, M.; Carey, T. E.; Bradford, C. R.; Wang, S.; Soengas, M. S., A novel BH3 mimetic reveals a mitogen-activated protein kinase-dependent mechanism of melanoma cell death controlled by p53 and reactive oxygen species. Cancer Research 2006, 66, (23), 11348-11359. full text in PDF

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Sun, H.; Nikolovska-Coleska, Z.; Lu, J.; Qiu, S.; Yang, C.; Gao, W.; Meagher, J.; Stuckey, J.; Wang, S., Design, synthesis, and evaluation of a potent, cell-permeable, conformationally constrained second mitochondria derived activator of caspase (Smac) mimetic. Journal of Medicinal Chemistry 2006, 49, (26), 7916-7920. full text in PDF

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Chen, J.; Nikolovska-Coleska, Z.; Wang, G.; Qiu, S.; Wang, S., Design, synthesis, and characterization of new embelin derivatives as potent inhibitors of X-linked inhibitor of apoptosis protein. Bioorganic & Medicinal Chemistry Letters 2006, 16, (22), 5805-5808. full text in PDF

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Wang, G.; Nikolovska-Coleska, Z.; Yang, C. Y.; Wang, R.; Tang, G.; Guo, J.; Shangary, S.; Qiu, S.; Gao, W.; Yang, D.; Meagher, J.; Stuckey, J.; Krajewski, K.; Jiang, S.; Roller, P. P.; Abaan, H. O.; Tomita, Y.; Wang, S., Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins. Journal of Medicinal Chemistry 2006, 49, (21), 6139-6142. full text in PDF

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Zeitlin, B. D.; Joo, E.; Dong, Z. H.; Warner, K.; Wang, G.; Nikolovska-Coleska, Z.; Wang, S.; Nor, J. E., Antiangiogenic effect of TW37, a small-molecule inhibitor of Bcl-2. Cancer Research 2006, 66, (17), 8698-8706. full text in PDF

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Wolter, K. G.; Wang, S. J.; Henson, B. S.; Wang, S.; Griffith, K. A.; Kumar, B.; Chen, J.; Carey, T. E.; Bradford, C. R.; D'Silva, N. J., (-)-Gossypol inhibits growth and promotes apoptosis of human head and neck squamous cell carcinoma in vivo. Neoplasia 2006, 8, (3), 163-172. full text in PDF

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Lu, Y.; Yang, C.; Wang, S., Binding free energy contributions of interfacial waters in HIV-1 protease/inhibitor complexes. Journal of the American Chemical Society 2006, 128, (36), 11830-11839. full text in PDF

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Hobrath, J. V.; Wang, S., Computational elucidation of the structural basis of ligand binding to the dopamine 3 receptor through docking and homology modeling. Journal of Medicinal Chemistry 2006, 49, (15), 4470-4476. full text in PDF

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Toulany, M.; Kasten-Pisula, U.; Brammer, I.; Wang, S.; Chen, J.; Dittmann, K.; Baumann, M.; Dikomey, E.; Rodemann, H. P., Blockage of epidermal growth factor receptor-phosphatidylinositol 3-kinase-AKT signaling increases radiorsensitivity of K-RAS mutated human tumor cells in vitro by affecting DNA repair. Clinical Cancer Research 2006, 12, (13), 4119-4126. full text in PDF

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Peng, Y.; Sun, H.; Wang, S., Design and synthesis of a 1,5-diazabicyclo[6,3,0] dodecane amino acid derivative as a novel dipeptide reverse-turn mimetic. Tetrahedron Letters 2006, 47, (27), 4769-4770. full text in PDF

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Lu, Y.; Nikolovska-Coleska, Z.; Fang, X.; Gao, W.; Shangary, S.; Qiu, S.; Qin, D.; Wang, S., Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy. Journal of Medicinal Chemistry 2006, 49, (13), 3759-3762. full text in PDF

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Ding, K.; Lu, Y.; Nikolovska-Coleska, Z.; Wang, G.; Qiu, S.; Shangary, S.; Gao, W.; Qin, D.; Stuckey, J.; Krajewski, K.; Roller, P. P.; Wang, S., Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. Journal of Medicinal Chemistry 2006, 49, (12), 3432-3435. full text in PDF

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Song, Y.; Peach, M. L.; Roller, P. P.; Qiu, S.; Wang, S.; Long, Y., Discovery of a novel nonphosphorylated pentapeptide motif displaying high affinity for Grb2-SH2 domain by the utilization of 3 '-substituted tyrosine derivatives. Journal of Medicinal Chemistry 2006, 49, (5), 1585-1596.  full text in PDF

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Tang, H.; Jin, X.; Wang, S.; Yang, D.; Cao, Y.; Chen, J.; Gossett, D.; Lin, J., A small molecule compound inhibits AKT pathway in ovarian cancer cell lines. Gynecologic Oncology 2006, 100, (2), 308-317. full text in PDF

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Xie, B.; Tassi, E.; Swift, M. R.; McDonnell, K.; Bowden, E. T.; Wang, S.; Ueda, Y.; Tomita, Y.; Riegel, A. T.; Wellstein, A., Identification of the fibroblast growth factor (FGF)-interacting domain in a secreted FGF-binding protein by phage display. Journal of Biological Chemistry 2006, 281, (2), 1137-1144. full text in PDF

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Yang, C. Y.; Wang, R.; Wang, S., M-Score: A knowledge-based potential scoring function accounting for protein atom mobility. Journal of Medicinal Chemistry 2006, 49, (20), 5903-5911. full text in PDF

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 Chen, J.; Ding, K.; Levant, B.; Wang, S., Design of novel hexahydropyrazinoquinolines as potent and selective dopamine D-3 receptor ligands with improved solubility. Bioorganic & Medicinal Chemistry Letters 2006, 16, (2), 443-446. full text in PDF

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Faden, A. I.; Movsesyan, V. A.; Fang, X.; Wang, S., Identification of novel neuroprotective agents using pharmacophore modeling. Chemistry & Biodiversity 2005, 2, (11), 1564-1570.  full text in PDF

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Mohammad, R. M.; Wang, S.; Banerjee, S.; Wu, X. H.; Chen, J. Y.; Sarkar, F. H., Nonpeptidic small-molecule inhibitor of Bcl-2 and Bcl-X-L, (-)-gossypol, enhances biological effect of genistein against BxPC-3 human pancreatic cancer cell line. Pancreas 2005, 31, (4), 317-324. full text in PDF

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Sun, H.; Nikolovska-Coleska, Z.; Yang, C.; Wang, S., Design and synthesis of a potent biotinylated Smac mimetic. Tetrahedron Letters 2005, 46, (41), 7015-7018. full text in PDF

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Yang, C.; Wang, R.; Wang, S., A systematic analysis of the effect of small-molecule binding on protein flexibility of the ligand-binding sites. Journal of Medicinal Chemistry 2005, 48, (18), 5648-5650. full text in PDF

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Ji, M.; Chen, J.; Ding, K.; Wu, X.; Varady, J.; Levant, B.; Wang, S., Design, synthesis and structure-activity relationship studies of hexahydropyrazinoquinolines as a novel class of potent and selective dopainine receptor 3 (D-3) ligands. Bioorganic & Medicinal Chemistry Letters 2005, 15, (6), 1701-1705. full text in PDF

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Oliver, C. L.; Miranda, M. B.; Shangary, S.; Land, S.; Wang, S.; Johnson, D. E., (-)-Gossypol acts directly on the mitochondria to overcome Bcl-2-mediated and Bcl-X-L-mediated apoptosis resistance. Molecular Cancer Therapeutics 2005, 4, (1), 23-31. full text in PDF

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Xu, L.; Yang, D.; Wang, S.; Tang, W.; Liu, M.; Davis, M.; Chen, J.; Rae, J. M.; Lawrence, T.; Lippman, M. E., (-)-gossypol enhances response to radiation therapy and results in tumor regression of human prostate cancer. Molecular Cancer Therapeutics 2005, 4, (2), 197-205. full text in PDF

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Ding, K.; Wang, G.; Deschamps, J. R.; Parrish, D. A.; Wang, S., Synthesis of spirooxindoles via asymmetric 1,3-dipolar cycloaddition. Tetrahedron Letters 2005, 46, (35), 5949-5951. full text in PDF

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Sadowsky, J. D.; Schmitt, M. A.; Lee, H. S.; Umezawa, N.; Wang, S.; Tomita, Y.; Gellman, S. H., Chimeric (alpha/beta plus alpha)-peptide ligands for the BH3-recognition cleft of Bcl-x(L): Critical role of the molecular scaffold in protein surface recognition. Journal of the American Chemical Society 2005, 127, (34), 11966-11968. full text in PDF

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Bauer, J. A.; Trask, D. K.; Kumar, B.; Los, G.; Castro, J.; Lee, J. S. J.; Chen, J.; Wang, S.; Bradford, C. R.; Carey, T. E., Reversal of cisplatin resistance with a BH3 mimetic, (-)-gossypol, in head and neck cancer cells: role of wild-type p53 and Bcl-X-L. Molecular Cancer Therapeutics 2005, 4, (7), 1096-1104. full text in PDF

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Ding, K.; Lu, Y.; Nikolovska-Coleska, Z.; Qiu, S.; Ding, Y. S.; Gao, W.; Stuckey, J.; Krajewski, K.; Roller, P. P.; Tomita, Y.; Parrish, D. A.; Deschamps, J. R.; Wang, S., Structure-based design of potent non-peptide MDM2 inhibitors. Journal of the American Chemical Society 2005, 127, (29), 10130-10131. full text in PDF

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Karl, E.; Warner, K.; Zeitlin, B.; Kaneko, T.; Wurtzel, L.; Jin, T.; Chang, J.; Wang, S.; Wang, C.; Strieter, R. M.; Nunez, G.; Polverini, P. J.; Nor, J. E., Bcl-2 acts in a proangiogenic signaling pathway through nuclear factor-kappa B and CXC chemokines. Cancer Research 2005, 65, (12), 5063-5069. full text in PDF

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Wang, R.; Fang, X.; Lu, Y.; Yang, C.; Wang, S., The PDBbind database: Methodologies and updates. Journal of Medicinal Chemistry 2005, 48, (12), 4111-4119. full text in PDF

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Ding, K.; Wang, S., Efficient synthesis of isoflavone analogues via a Suzuki coupling reaction. Tetrahedron Letters 2005, 46, (21), 3707-3709. full text in PDF

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Song, H.; Wang, R.; Wang, S.; Lin, J., A low-molecular-weight compound discovered through virtual database screening inhibits Stat3 function in breast cancer cells. Proceedings of the National Academy of Sciences of the United States of America 2005, 102, (13), 4700-4705. full text in PDF

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Ding, K.; Chen, J.; Ji, M.; Wu, X.; Varady, J.; Yang, C.; Lu, Y.; Deschamps, J. R.; Levant, B.; Wang, S., Enantiomerically pure hexahydropyrazinoquinolines as potent and selective dopamine 3 subtype receptor ligands. Journal of Medicinal Chemistry 2005, 48, (9), 3171-3181. full text in PDF

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Fang, X.; Shao, L.; Zhang, H.; Wang, S., CHMIS-C: A comprehensive herbal medicine information system for cancer. Journal of Medicinal Chemistry 2005, 48, (5), 1481-1488.  full text in PDF

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Sun, H.; Nikolovska-Coleska, Z.; Chen, J.; Yang, C.; Tomita, Y.; Pan, H. G.; Yoshioka, Y.; Krajewski, K.; Roller, P. P.; Wang, S., Structure-based design, synthesis and biochemical testing of novel and potent Smac peptido-mimetics. Bioorganic & Medicinal Chemistry Letters 2005, 15, (3), 793-797. full text in PDF

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Braun, D. C.; Cao, Y.; Wang, S.; Garfield, S. H.; Hur, G. M.; Blumberg, P. M., Role of phorbol ester localization in determining protein kinase C or RasGRP3 translocation: Real-time analysis using fluorescent ligands and proteins. Molecular Cancer Therapeutics 2005, 4, (1), 141-150.  full text in PDF

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Mohammad, R. M.; Wang, S.; Aboukameel, A.; Chen, B.; Wu, X.; Chen, J.; Al-Katib, A., Preclinical studies of a nonpeptidic small-molecule inhibitor of Bcl-2 and Bcl-X-L [(-)-gossypol] against diffuse large cell lymphoma. Molecular Cancer Therapeutics 2005, 4, (1), 13-21. full text in PDF

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Fang, X.; Shao, L.; Zhang, H.; Wang, S., Web-based tools for mining the NCI databases for anticancer drug discovery. Journal of Chemical Information and Computer Sciences 2004, 44, (1), 249-257. full text in PDF

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Yang, C-Y.; Nikolovska-Coleska, Z.; Li, P.; Roller, P.; Wang, S., Solution conformations of wild-type and mutated Bak BH3 peptides via dynamical conformational sampling and implication to their binding to anti-apoptotic Bcl-2 proteins, Journal of Physical Chemistry 2004, 108, (4), 1467-1477. full text in PDF

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Ding, K.; Flippen-Anderson, J.; Wang, S., An efficient synthesis of optically pure (S)-2-fuctionalized 1, 2, 3, 4-tetrahydroquinoline, Tetrahedron Letters, 2004, 45, 5; 1027-1029. full text in PDF

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Haiying Sun, Zaneta Nikolovska-Coleska, Chao-Yie Yang, Liang Xu, York Tomita, Peter Roller and Shaomeng Wang, Structure-based design of potent, conformationally constrained Smac mimetics, J Am Chem Soc 2004; 126(51):16686-16687. full text in PDF

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Nikolovska-Coleska, Z.; Xu, L.; Hu, Z.; Tomita, Y.; Li, P.; Roller, P. P.; Wang, R.; Fang, X.; Guo, R.; Zhang, M.; Lippman, M. E.; Yang, D.; Wang, S., Discovery of embelin as a cell-permeable, small-molecular weight inhibitor of XLAP through structure-based computational screening of a traditional herbal medicine three-dimensional structure database. Journal of Medicinal Chemistry 2004, 47, (10), 2430-2440. full text in PDF

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Wang, R.; Fang, X.; Lu, Y.; Wang, S., The PDBbind database: Collection of binding affinities for protein-ligand complexes with known three-dimensional structures. Journal of Medicinal Chemistry 2004, 47, (12), 2977-2980. full text in PDF

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Sun, H.; Nikolovska-Coleska, Z.; Yang, C.; Xu, L.; Tomita, Y.; Krajewski, K.; Roller, P. P.; Wang, S., Structure-based design, synthesis, and evaluation of conformationally constrained mimetics of the second mitochondria-derived activator of caspase that target the X-linked inhibitor of apoptosis protein/caspase-9 interaction site. Journal of Medicinal Chemistry 2004, 47, (17), 4147-4150. full text in PDF

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Nikolovska-Coleska, Z.; Wang, R. X.; Fang, X. L.; Pan, H. G.; Tomita, Y.; Li, P.; Roller, P. P.; Krajewski, K.; Saito, N. G.; Stuckey, J. A.; Wang, S., Development and optimization of a binding assay for the XIAP BIR3 domain using fluorescence polarization. Analytical Biochemistry 2004, 332, (2), 261-273. full text in PDF

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Koehler, N. K. U.; Yang, C.; Varady, J.; Lu, Y.; Wu, X.; Liu, M.; Yin, D.; Bartels, M.; Xu, B.; Roller, P. P.; Long, Y.; Li, P.; Kattah, M.; Cohn, M. L.; Moran, K.; Tilley, E.; Richert, J. R.; Wang, S., Structure-based discovery of nonpeptidic small organic compounds to block the T cell response to myelin basic protein. Journal of Medicinal Chemistry 2004, 47, (21), 4989-4997. full text in PDF

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Blobaum, A. L.; Lu, Y.; Kent, U. M.; Wang, S.; Hollenberg, P. F., Formation of a novel reversible cytochrome P450 spectral intermediate: Role of threonine 303 in P450 2E1 inactivation. Biochemistry 2004, 43, (38), 11942-11952. full text in PDF

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Wang, R.; Lu, Y.; Fang, X.; Wang, S., An extensive test of 14 scoring functions using the PDBbind refined set of 800 protein-ligand complexes. Journal of Chemical Information and Computer Sciences 2004, 44, (6), 2114-2125. full text in PDF

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Wu, X.; Chen, J.; Ji, M.; Varady, J.; Levant, B.; Wang, S., Design, synthesis, and evaluation of hexahydroenz[f]isoquinolines as a novel class of dopamine 3 receptor ligands. Bioorganic & Medicinal Chemistry Letters 2004, 14, (23), 5813-5816. full text in PDF

91

Real, P. J.; Cao, Y.; Wang, R.; Nikolovska-Coleska, Z.; Sanz-Ortiz, J.; Wang, S.; Fernandez-Luna, J. L., Breast cancer cells can evade apoptosis-mediated selective killing by a novel small molecule inhibitor of Bcl-2. Cancer Research 2004, 64, (21), 7947-7953. full text in PDF

90

Oliver, C. L.; Bauer, J. A.; Wolter, K. G.; Ubell, M. L.; Narayan, A.; O'Connell, K. M.; Fisher, S. G.; Wang, S.; Wu, X.; Ji, M.; Carey, T. E.; Bradford, C. R., In vitro effects of the BH3 mimetic, (-)-gossypol, on head and neck squamous cell carcinoma cells. Clinical Cancer Research 2004, 10, (22), 7757-7763. full text in PDF

89

Jin, X.; Gossett, D. R.; Wang, S.; Yang, D.; Cao, Y.; Chen, J.; Guo, R.; Reynolds, R. K.; Lin, J., Inhibition of AKT survival pathway by a small molecule inhibitor in human endometrial cancer cells. British Journal of Cancer 2004, 91, (10), 1808-1812. full text in PDF

88

Enyedy, I. J.; Sakamuri, S.; Zaman, W. A.; Johnson, K. M.; Wang, S., Pharmacophore-based discovery of substituted pyridines as novel dopamine transporter inhibitors. Bioorganic and Medicinal Chemistry Letters, 2003, 13, 513-517. full text in PDF

87

Sakamuri, S.; Enyedy, I., J.; Zaman, W. A.; Tella, S. R.; Kozikowski, A. P.; Flippen-Anderson, J. L.; Farkas, T.; Johnson, K. M.; Wang, S., 2,3-Disubstituted Quinuclidines as A Novel Class of Dopamine Transporter Inhibitors. Bioorganic and Medicinal Chemistry, 2003, 11, 1123-1136. full text in PDF

86

Wang, R.; Lu, Y.; Wang, S., Comparative evaluation of ten scoring functions for molecular docking, Journal of Medicinal Chemistry, 2003, 46(21); 2287-2303. full text in PDF

85

Varady, J.; Wu, X.; Fang, X.; Ji, M.; Hu, Z.; Levant, B.; Wang, S., Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach. Journal of Medicinal Chemistry, 2003, 46(12); 4377-4392. full text in PDF

84

Zhang, M.; Liu, H., Guo, R., Ling, Y., Wu, X., Li, B., Roller, P. P., Wang, S., Yang, D., Molecular mechanism of gossypol-induced cell growth inhibition and cell death of HT-29 human colon carcinoma cells. Biochem Pharmacol. 2003, 66, 1, 93-103. full text in PDF

83

Rong, S.; Zhang, J.; Neale, J. H.; Wroblewski, J. T.; Wang, S.; Kozikowski, A. P., Molecular modeling of the interactions of glutamate carboxypeptidase II with its potent NAAG-based inhibitors. Journal of Medicinal Chemistry 2002, 45, (19), 4140-4152. Full Text in PDF

82

Wu, X.; Wang, S.; Brooks, B., Direct observation of the folding and unfolding of a β-hairpin in explicit water through computer simulation. Journal of the American Chemical Society 2002, 124, 5282-5283. Full Text in PDF

81

Rong, S.; Enyedy, I. J.; Qiao, L.; Zhao, L.; Ma, D.; Pearce, L. L.; Lorenzo, P. S.; Stone, J. C.; Blumberg, P. M.; Wang, S.; Kozikowski, A. P., Structural basis of RasGRP binding to high-affinity PKC ligands. Journal of Medicinal Chemistry 2002, 45, (4), 853-860. Full Text in PDF

80

Wang, R.; Lai, L.; Wang, S., Further development and validation of empirical scoring functions for structure-based binding affinity prediction. Journal of Computer-Aided Molecular Design 2002, 16, (1), 11-26. Full Text in PDF

79

Varady, J.; Wu, X.; Wang, S., Competitive and reversible binding of a guest molecule to its host in aqueous solution through molecular dynamics simulation: Benzyl alcohol/beta-cyclodextrin system. Journal of Physical Chemistry B 2002, 106, (18), 4863-4872. Full Text in PDF

78

Enyedy, I. J.; Wang, J.; Zaman, W. A.; Johnson, K. M.; Wang, S., Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol. Bioorganic & Medicinal Chemistry Letters 2002, 12, (13), 1775-1778. Full Text in PDF

77

Fang, X.; Wang, S., A web-based 3D-database pharmacophore searching tool for drug discovery. Journal of Chemical Information and Computer Sciences 2002, 42, (2), 192-198. Full Text in PDF

76

Shao, L.; Lewin, N. E.; Lorenzo, P. S.; Hu, Z.; Enyedy, I. J.; Garfield, S. H.; Stone, J. C.; Marner, F. J.; Blumberg, P. M.; Wang, S., Iridals are a novel class of ligands for phorbol ester receptors with modest selectivity for the RasGRP receptor subfamily. Journal of Medicinal Chemistry 2001, 44, (23), 3872-3880. Full Text in PDF

75

Peter P. Roller, Y. Q. Long, P. Li, S.-L. Lee, C.-Y. Lin, Istvan Enyedy, Shaomeng Wang, Robert B. Dickson, Bicyclic peptide inhibitors of an epithelial cell-derived transmembrane protease, matriptase, In Peptides: The Wave of the Future (Proceedings of the 2nd International/17th American Peptide Symposium), M. Leb1 & R. A. Houghten (Eds), American Peptide Society, San Diego, CA. 2001, pp 561-562.

74

Enyedy, I. J.; Ling, Y.; Nacro, K.; Tomita, Y.; Wu, X.; Cao, Y.; Guo, R.; Li, B.; Zhu, X.; Huang, Y.; Long, Y.; Roller, P. P.; Yang, D.; Wang, S., Discovery of small-molecule inhibitors of bcl-2 through structure-based computer screening. Journal of Medicinal Chemistry 2001, 44, (25), 4313-4324. Full Text in PDF

73

Wang, R.; Wang, S., How does consensus scoring work for virtual library screening? An idealized computer experiment. Journal of Chemical Information and Computer Sciences 2001, 41, (5), 1422-1426. Full Text in PDF

72

Long, Y.; Lee, S. L.; Lin, C.; Enyedy, I. J.; Wang, S.; Li, P.; Dickson, R. B.; Roller, P. P., Synthesis and evaluation of the sunflower derived trypsin inhibitor as a potent inhibitor of the type II transmembrane serine protease, matriptase. Bioorganic & Medicinal Chemistry Letters 2001, 11, (18), 2515-2519. Full Text in PDF

71

Voigt, J. H.; Bienfait, B.; Wang, S.; Nicklaus, M. C., Comparison of the NCI open database with seven large chemical structural databases. Journal of Chemical Information and Computer Sciences 2001, 41, (3), 702-712. Full Text in PDF

70

Wang, Q.; Fang, T.; Nacro, K.; Marquez, V. E.; Wang, S.; Blumberg, P. M., Role of hydrophobic residues in the C1b domain of protein kinase C delta on ligand and phospholipid interactions. Journal of Biological Chemistry 2001, 276, (22), 19580-19587. Full Text in PDF

69

Caloca, M. J.; Wang, H.; Delemos, A.; Wang, S.; Kazanietz, M. G., Phorbol esters and related analogs regulate the subcellular localization of beta 2-chimaerin, a non-protein kinase C phorbol ester receptor. Journal of Biological Chemistry 2001, 276, (21), 18303-18312. Full Text in PDF

68

Enyedy, I. J.; Zaman, W. A.; Sakamuri, S.; Kozikowski, A. P.; Johnson, K. M.; Wang, S., Pharmacophore-based discovery of 3,4-disubstituted pyrrolidines as a novel glass of monoamine transporter inhibitors. Bioorganic & Medicinal Chemistry Letters 2001, 11, (9), 1113-1118. Full Text in PDF

67

Pak, Y.; Enyedy, I. J.; Varady, J.; Kung, J. W.; Lorenzo, P. S.; Blumberg, P. M.; Wang, S., Structural basis of binding of high-affinity ligands to protein kinase C: Prediction of the binding modes through a new molecular dynamics method and evaluation by site-directed mutagenesis. Journal of Medicinal Chemistry 2001, 44, (11), 1690-170Full Text in PDF

66

Wang, S.; Sakamuri, S.; Enyedy, I. J.; Kozikowski, A. P.; Zaman, W. A.; Johnson, K. M., Molecular modeling, structure-activity relationships and functional antagonism studies of 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketones as a novel class of dopamine transporter inhibitors. Bioorganic & Medicinal Chemistry 2001, 9, (7), 1753-1764. Full Text in PDF

65

Lung, F-D. T.; Long, Y.;, King, C. R.; Varady, J.; Wu, X.; Wang, S., Roller P. P., Functional preference of the constraints amino acid residues in a phage-library based non-phosphorylated inhibitor of Grb2-SH2 domain. Journal of Peptide Research 2001, 57, 447-454 Full Text in PDF

64

Enyedy, I. J.; Lee, S. L.; Kuo, A. H.; Dickson, R. B.; Lin, C.; Wang, S., Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase. Journal of Medicinal Chemistry 2001, 44, (9), 1349-1355. Full Text in PDF

63

Sakamuri, S.; Enyedy, I. J.; Kozikowski, A. P.; Zaman, W. A.; Johnson, K. M.; Wang, S., Pharmacophore-based discovery, synthesis, and biological evaluation of 4-phenyl-1-arylalkyl piperidines as dopamine transporter inhibitors. Bioorganic & Medicinal Chemistry Letters 2001, 11, (4), 495-500. Full Text in PDF

62

Wu, X.; Wang, S., Helix folding of an alanine-based peptide in explicit water. Journal of Physical Chemistry B 2001, 105, (11), 2227-2235. Full Text in PDF

61

Rong, S. B.; Hu, Y. H.; Enyedy, I.; Powis, G.; Meuillet, E. J.; Wu, X. W.; Wang, R. X.; Wang, S. M.; Kozikowski, A. P., Molecular modeling studies of the Akt PH domain and its interaction with phosphoinositides. Journal of Medicinal Chemistry 2001, 44, (6), 898-908. Full Text in PDF

60

Qiao, L.; Zhao, L.; Rong, S.; Wu, X.; Wang, S.; Fujii, T.; Kazanietz, M. G.; Rauser, L.; Savage, J.; Roth, B. L.; Flippen-Anderson, J.; Kozikowski, A. P., Rational design, synthesis, and biological evaluation of rigid pyrrolidone analogues as potential inhibitors of prostate cancer cell growth. Bioorganic & Medicinal Chemistry Letters 2001, 11, (8), 955-959. Full Text in PDF

59

Wu, X.; Wang, S., Folding studies of a linear pentamer peptide adopting a reverse turn conformation in aqueous solution through molecular dynamics simulation. Journal of Physical Chemistry B 2000, 104, (33), 8023-8034. Full Text in PDF

58

Hu, Y.; Qiao, L.; Wang, S.; Rong, S.; Meuillet, E. J.; Berggren, M.; Gallegos, A.; Powis, G.; Kozikowski, A. P., 3-(Hydroxymethyl)-bearing phosphatidylinositol ether lipid analogues and carbonate surrogates block PI3-K, Akt, and cancer cell growth. Journal of Medicinal Chemistry 2000, 43, (16), 3045-3051. Full Text in PDF

57

Wang, S.; Sakamuri, S.; Enyedy, I. J.; Kozikowski, A. P.; Deschaux, O.; Bandyopadhyay, B. C.; Tella, S. R.; Zaman, W. A.; Johnson, K. M., Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies. Journal of Medicinal Chemistry 2000, 43, (3), 351-360. Full Text in PDF

56

Pak, Y. S.; Wang, S., Application of a molecular dynamics simulation method with a generalized effective potential to the flexible molecular docking problems. Journal of Physical Chemistry B 2000, 104, (2), 354-359. Full Text in PDF

55

Sakamuri, S.; Enyedy, I. J.; Kozikowski, A. P.; Wang. S., Synthesis of 2-alkyl-3-aryl-substituted quinuclidines as novel dopamine transporter inhibitors. Tetrahedron Letters 2000, 41, 9949-9953. Full Text in PDF

54

Wang, S.; Liu, M.; Lewin, N. E.; Lorenzo, P. S.; Bhattacharrya, D.; Qiao, L.; Kozikowski, A. P.; Blumberg, P. M., Probing the binding of indolactam-V to protein kinase C through site-directed mutagenesis and computational docking simulations. Journal of Medicinal Chemistry 1999, 42, (18), 3436-3446. Full Text in PDF

53

Liu, M.; Wang, S., MCDOCK: A Monte Carlo simulation approach to the molecular docking problem. Journal of Computer-Aided Molecular Design 1999, 13, (5), 435-451. Full Text in PDF

52

Pak, Y.; Wang, S., Folding of a 16-residue helical peptide using molecular dynamics simulation with Tsallis effective potential. Journal of Chemical Physics 1999, 111, (10), 4359-4361. Full Text in PDF

51

Caloca, M. J.; Garcia-Bermejo, M. L.; Blumberg, P. M.; Lewin, N. E.; Kremmer, E.; Mischak, H.; Wang, S.; Nacro, K.; Bienfait, B.; Marquez, V. E.; Kazanietz, M. G., beta 2-chimaerin is a novel target for diacylglycerol: Binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain. Proceedings of the National Academy of Sciences of the United States of America 1999, 96, (21), 11854-11859. Full Text in PDF

50

Faden, A. I.; Fox, G. B.; Fan, L.; Araldi, G. L.; Qiao, L.; Wang, S.; Kozikowski, A. P., Novel TRH analog improves motor and cognitive recovery after traumatic brain injury in rodents. American Journal of Physiology-Regulatory Integrative and Comparative Physiology 1999, 277, (4), R1196-R1204. Full Text in PDF

49

Wu, X.; Wang, S., Enhancing systematic motion in molecular dynamics simulation. Journal of Chemical Physics 1999, 110, (19), 9401-9410. Full Text in PDF

48

Kozikowski, A. P.; Simoni, D.; Roberti, M.; Rondanin, R.; Wang, S.; Du, P.; Johnson, K. M., Synthesis of 8-oxa analogues of norcocaine endowed with interesting cocaine-like activity. Bioorganic & Medicinal Chemistry Letters 1999, 9, (13), 1831-1836. Full Text in PDF

47

Ma, D.; Wang, G.; Wang, S.; Kozikowski, A. P.; Lewin, N. E.; Blumberg, P. M., Synthesis and protein kinase C binding activity of benzolactam-V7. Bioorganic & Medicinal Chemistry Letters 1999, 9, (10), 1371-1374. Full Text in PDF

46

Marquez, V. E.; Nacro, K.; Benzaria, S.; Lee, J.; Sharma, R.; Teng, K.; Milne, G. W. A.; Bienfait, B.; Wang, S.; Lewin, N. E.; Blumberg, P. M., The transition from a pharmacophore-guided approach to a receptor-guided approach in the design of potent protein kinase C ligands. Pharmacology & Therapeutics 1999, 82, (2-3), 251-261. Full Text in PDF

45

Milne, G.W.A.; Nicklaus, M. C.; Wang S.; Pharmacophore in drug design and discovery, in "Data management in computer-aided drug design", 1998, 9: 23-38.

44

Wu, X.; Wang, S., Self-guided molecular dynamics simulation for efficient conformational search. Journal of Physical Chemistry B 1998, 102, (37), 7238-7250. Full Text

43

Qiao, L.; Wang, S.; George, C.; Lewin, N. E.; Blumberg, P. M.; Kozikowski, A. P., Structure-based design of a new class of protein kinase C modulators. Journal of the American Chemical Society 1998, 120, (26), 6629-6630. Full Text in PDF

42

Yao, Z.; Ye, B.; Wu, X.; Wang, S.; Wu, L.; Zhang, Z.; Burke, T. R., Structure-based design and synthesis of small molecule protein-tyrosine phosphatase 1B inhibitors. Bioorganic & Medicinal Chemistry 1998, 6, (10), 1799-1810. Full Text in PDF

41

Marquez, V. E.; Sharma, R.; Wang, S., Lewin, N. E.; Blumberg, P. M.; Kim, I. S.; Lee, J. Conformationally constrained analogues of diacylglyrerol (DAG). 14. Dissection of the role of the sn-1 and sn-2 carbonyls in DAG mimetics by isopharmacophore replacement. Bioorganic & Medicinal Chemistry Letters 1998, 8, 1757-1762. Full Text in PDF

40

Campiani, G.; Kozikowski, A. P.; Wang, S.; Ming, L.; Nacci, V.; Saxena, A.; Doctor, B. P., Synthesis and anticholinesterase activity of huperzine A analogues containing phenol and catechol replacements for the pyridone ring. Bioorganic & Medicinal Chemistry Letters 1998, 8, (11), 1413-1418. Full Text in PDF

39

Kozikowski, A. P.; Steensma, D.; Araldi, G. L.; Tuckmantel, W.; Wang, S.; Pshenichkin, S.; Surina, E.; Wroblewski, J. T., Synthesis and biology of the conformationally restricted ACPD analogue, 2-aminobicyclo[2.1.1]hexane-2,5-dicarboxylic acid-I, a potent mGluR agonist. Journal of Medicinal Chemistry 1998, 41, (10), 1641-1650. Full Text in PDF

38

Yan, X.; Day, P.; Hollis, T.; Monzingo, A. F.; Schelp, E.; Robertus, J. D.; Milne, G. W. A.; Wang, S., Recognition and interaction of small rings with the ricin A-chain binding site. Proteins-Structure Function and Bioinformatics 1998, 31, (1), 33-41. Full Text in PDF

37

Benzaria, S.; Bienfait, B.; Nacro, K.; Wang, S.; Lewin, N. E.; Beheshti, M.; Blumberg, P. M.; Marquez, V. E., Conformationally constrained analogues of diacylglycerol (DAG). 15. The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C). Bioorganic & Medicinal Chemistry Letters 1998, 8, (23), 3403-3408. Full Text in PDF

36

Tuckmantel, W.; Kozikowski, A. P.; Wang, S.; Pshenichkin, S.; Wroblewski, J. T., Synthesis, molecular modeling, and biology of the 1-benzyl derivative of APDC - An apparent mGluR6 selective ligand. Bioorganic & Medicinal Chemistry Letters 1997, 7, (5), 601-606. Full Text in PDF

35

 Zhao, H.; Neamati, N.; Hong, H.; Mazumder, A.; Wang, S.; Sunder, S.; Milne, G. W. A.; Pommier, Y.; Burke, T. R., Coumarin-based inhibitors of HIV integrase. Journal of Medicinal Chemistry 1997, 40, (2), 242-249. Full Text in PDF

34

Hong, H.; Neamati, N.; Wang, S.; Nicklaus, M. C.; Mazumder, A.; Zhao, H.; Burke, T. R.; Pommier, Y.; Milne, G. W. A., Discovery of HIV-1 integrase inhibitors by pharmacophore searching. Journal of Medicinal Chemistry 1997, 40, (6), 930-936. Full Text in PDF

33

Neamati, N.; Hong, H.; Mazumder, A.; Wang, S.; Sunder, S.; Nicklaus, M. C.; Milne, G. W. A.; Proksa, B.; Pommier, Y., Depsides and depsidones as inhibitors of HIV-1 integrase: Discovery of novel inhibitors through 3D database searching. Journal of Medicinal Chemistry 1997, 40, (6), 942-951. Full Text in PDF

32

Kozikowski, A. P.; Wang, S.; Ma, D.; Yao, J.; Ahmad, S.; Glazer, R. I.; Bogi, K.; Acs, P.; Modarres, S.; Lewin, N. E.; Blumberg, P. M., Modeling chemistry, and biology of the benzolactam analogues of indolactam V (ILV) .2. Identification of the binding site of the benzolactams in the CRD2 activator-binding domain of PKC delta and discovery of an ILV analogue of improved isozyme selectivity. Journal of Medicinal Chemistry 1997, 40, (9), 1316-1326. Full Text in PDF

31

Oligino, L.; Lung, F. D. T.; Sastry, L.; Bigelow, J.; Cao, T.; Curran, M.; Burke, T. R.; Wang, S.; Krag, D.; Roller, P. P.; King, C. R., Nonphosphorylated peptide ligands for the Grb2 Src homology 2 domain. Journal of Biological Chemistry 1997, 272, (46), 29046-29052. Full Text in PDF

30

Yang, D.; Wang, S., Small molecule antagonists targeting growth factors/receptors. Current Pharmaceutical Design 1997, 3, (3), 335-354.

29

Zhao, H.; Neamati, N.; Sunder, S.; Hong, H.; Wang, S.; Milne, G. W. A.; Pommier, Y.; Burke, T. R., Hydrazide-containing inhibitors of HIV-1 integrase. Journal of Medicinal Chemistry 1997, 40, (6), 937-941. Full Text in PDF

28

Kozikowski, A. P.; Liao, Y.; Tuckmantel, W.; Wang, S.; Pshenichkin, S.; Surin, A.; Thomsen, C.; Wroblewski, J. T., Synthesis and biology of the rigidified glutamate analogue, trans-2-carboxyazetidine-3-acetic acid (t-CAA). Bioorganic & Medicinal Chemistry Letters 1996, 6, (21), 2559-2564. Full Text in PDF

27

Kozikowski, A. P.; Campiani, G.; Sun, L.; Wang, S.; Saxena, A.; Doctor, B. P., Identification of a more potent analogue of the naturally occurring alkaloid huperzine A. Predictive molecular modeling of its interaction with AChE. Journal of the American Chemical Society 1996, 118, (46), 11357-11362. Full Text in PDF

26

Burke, Jr. T. R.; Ye, B.; Yan, X.; Wang, S.; Jia, Z., Chen, L.; Zhang, Z.; Barford, D., Small molecule interactions with protein-tyrosine phosphatase PTP 1B and their use in inhibitor design. Biochemistry 1996, 35, 15989-15996 Full Text in PDF

25

Wang, S.; Milne, G. W. A.; Yan, X.; Posey, I. J.; Nicklaus, M. C.; Graham, L.; Rice, W. G., Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching. Journal of Medicinal Chemistry 1996, 39, (10), 2047-2054. Full Text in PDF

24

Wang, S.; Kazanietz, M. G.; Blumberg, P. M.; Marquez, V. E.; Milne, G. W. A., Molecular modeling and site-directed mutagenesis studies of a phorbol ester-binding site in protein kinase C. Journal of Medicinal Chemistry 1996, 39, (13), 2541-2553. Full Text in PDF

23

Mazumder, A.; Wang, S.; Neamati, N.; Nicklaus, M.; Sunder, S.; Chen, J.; Milne, G. W. A.; Rice, W. G.; Burke, T. R.; Pommier, Y., Antiretroviral agents as inhibitors of both human immunodeficiency virus type 1 integrase and protease. Journal of Medicinal Chemistry 1996, 39, (13), 2472-2481. Full Text in PDF

22

Milne, G. W. A.; Wang, S.; Nicklaus, M. C., Molecular modeling in the discovery of drug leads. Journal of Chemical Information and Computer Sciences 1996, 36, (4), 726-730. Full Text in PDF

21

Sharma, R.; Lee, J.; Wang, S.; Milne, G. W. A.; Lewin, N. E.; Blumberg, P. M.; Marquez, V. E., Conformationally constrained analogues of diacylglycerol .10. Ultrapotent protein kinase C ligands based on a racemic 5-disubstituted tetrahydro-2-furanone template. Journal of Medicinal Chemistry 1996, 39, (1), 19-28. Full Text in PDF

20

Lee, J.; Sharma, R.; Wang, S.; Milne, G. W. A.; Lewin, N. E.; Szallasi, Z.; Blumberg, P. M.; George, C.; Marquez, V. E., Conformationally constrained analogues of diacylglycerol .12. Ultrapotent protein kinase C ligands based on a chiral 4,4-disubstituted heptono-1,4-lactone template. Journal of Medicinal Chemistry 1996, 39, (1), 36-45. Full Text in PDF

19

Lee, J.; Wang, S.; Milne, G. W. A.; Sharma, R.; Lewin, N. E.; Blumberg, P. M.; Marquez, V. E., Conformationally constrained analogues of diacylglycerol .11. Ultrapotent protein kinase C ligands based on a chiral 5-disubstituted tetrahydro-2-furanone template. Journal of Medicinal Chemistry 1996, 39, (1), 29-35. Full Text in PDF

18

Milne, G. W. A.; Wang, S.; Fung, V., Use of computers in toxicology and chemical design. Designing Safer Chemicals 1996, 640, 138-155.

17

Kazanietz, M. G.; Wang, S.; Milne, G. W. A.; Lewin, N. E.; Liu, H.; Blumberg, P. M., Residues in the 2Nd Cysteine-Rich Region of Protein-Kinase-C-Delta Relevant to Phorbol Ester Binding as Revealed by Site-Directed Mutagenesis. Journal of Biological Chemistry 1995, 270, (37), 21852-21859. Full Text in PDF

16

Acs, G.; Lee, J.; Marquez, V. E.; Wang, S.; Milne, G. W. A.; Lewin, N. E.; Blumberg, P. M., Resiniferatoxin-amide and analogs as ligands for protein kinase C and vaniloid receptors and determination of their biological activities as vaniloids. Journal of Neurochemistry 1995, 65, 301-308.

15

Nicklaus, M. C.; Wang, S.; Driscoll, J. S.; Milne, G. W. A., Conformational-changes of small molecules binding to proteins. Bioorganic & Medicinal Chemistry 1995, 3, (4), 411-428. Full Text in PDF

14

Wang, S.; Milne, G. W. A.; Nicklaus, M. C.; Marquez, V. E.; Lee, J.; Blumberg, P. M., Protein Kinase C. Modeling of the binding site and prediction of binding constants. Journal of Medicinal Chemistry 1994, 37, (9), 1326-1338. Full Text in PDF

13

Wang, S.; Zaharevitz, D. W.; Sharma, R.; Marquez, V. E.; Lewin, N. E.; Du, L.; Blumberg, P. M.; Milne, G. W. A., The Discovery of Novel, Structurally Diverse Protein-Kinase-C Agonists through Computer 3D-Database Pharmacophore Search - Molecular Modeling Studies. Journal of Medicinal Chemistry 1994, 37, (26), 4479-4489. Full Text in PDF

12

Wang, S.; Milne, G. W. A.; Klopman, G., Graph theory and group contributions in the estimation of boiling points. Journal of Chemical Information and Computer Sciences 1994, 34, 1242-1250. Full Text in PDF

11

Milne, G. W. A.; Nicklaus, M. C.; Driscoll, J. S.; Wang, S.; Zaharevitz, D., National Cancer Institute drug information system 3D database. Journal of Chemical Information and Computer Sciences 1994, 34, 1219-1224. Full Text in PDF

10

Yan, X.; Wang, S.; Hodoscek, M.; Milne, G. W. A., Prediction of geometries and interaction energies of complexes formed by small molecules using semiempirical and ab-initio methods. Theochem-Journal of Molecular Structure 1994, 115, (3), 279-294. Full Text in PDF

9

Klopman, G.; Li, J.; Wang, S.; Dimayuga, M., Computer automated log P calculations based on an extended group-contribution approach. Journal of Chemical Information and Computer Sciences 1994, 34, (4), 752-781. Full Text in PDF

8 Klopman, G.; Li, J-Y.; Wang, S.; Pearson, A. J.; Chang, K.; Jacobs, M. R.; Bajaksouzian, S.; Ellner, J. J., In vitro anti-mycobacterium avium activities of quinolones: predicted active structures and mechanistic considerations. Antimicrobial Agents and Chemotherapy 1994, 38, 1794-1802. Full Text in PDF

7

Marquez, V. E.; Lee, J.; Sharma, R.; Teng, K.; Wang, S.; Lewin, N. E.; Bahador, A.; Kazanietz, M. G.; Blumberg, P. M., Conformationally constrained analogues of diacylglycerol. 6. Changes in PK-C binding affinity for 3-O-Acyl-2-deoxy-L-ribonolactones bearing different acyl chains. Bioorganic & Medicinal Chemistry Letters 1994, 4, 355-360. Full Text in PDF

6

Klopman, G.; Wang, S.; Jacobs, M. R.; Bajaksouzian, S.; Edmonds, K.; Ellner, J. J., Anti-mycobacterium avium activity of quinolones: in vitro activities. Antimicrobial Agents and Chemotherapy 1993, 37, (9), 1799-1806. Full Text in PDF

5

Klopman, G.; Wang, S.; Jacobs, M. R.; Ellner, J. J., Anti-mycobacterium avium activity of quinolones: Structure activity relationship studies. Antimicrobial Agents and Chemotherapy 1993, 37, 1807-1815. Full Text in PDF

4

Wang, S.; Milne, G. W. A., Applications of computers to toxicological research. Chemical Research in Toxicology 1993, 6, (6), 748-753. Full Text in PDF

3

Klopman, G.; Wang, S.; Balthasar, D. M., Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation. Journal of Chemical Information and Computer Sciences 1992, 32, (5), 474-482. Full Text in PDF

2

Klopman, G.; Wang, S., A computer automated structure evaluation (CASE) approach to calculation of partition coefficient. Journal of Computational Chemistry 1991, 12, (8), 1025-2032. Full Text in PDF

1

Zhao, B.; Wang, S.; Guo, Q.; Tang, Y., Surface structure and properties of ZnO/TiO2. Chinese Journal of Physical Chemistry 1990, 6, 403-409.

Patents

 

30 Shaomeng Wang, et al. Spiro-oxindole MDM2 antagonists, US Patent Number 8,518,984, August 27, 2013.
29 Shaomeng Wang, et al. Heteroaryl-substituted bicyclic Smac mimetics and the uses thereof, US Patent 8,445,473, May 21, 2013.
28 Shaomeng Wang, et al. Selective ligands for the dopamine 3 (D.sub.3) receptor and methods of using the same, US Patent Number 8,486,981, July 16, 2013.

27

Shaomeng Wang, et al. Selective ligands for the dopamine 3 (D.sub.3) receptor and methods of using the same, US Patent Number 8,283,368, October 9, 2012

26

Shaomeng Wang, Yuefeng Peng et al. Diazo bicyclic Smac mimetics and the uses thereof, US Patent Number 8,278,293, October 2, 2012.

25

Shaomeng Wang, Dongguang Qin, et al. Small molecule inhibitors of MDM2 and the uses thereof, US Patent Number 8,222,288, July 17, 2012.

24

Shaomeng Wang, et al. Bivalent SMAC mimetics and the uses thereof, US Patent Number 8,202,902, June 19, 2012.

23

Shaomeng Wang, et al. Small molecule antagonists of Bcl-2 family proteins, US Patent Number 8,163,805, April 24, 2012.

22

Shaomeng Wang, Ke Ding, et al, Small molecule inhibitors of MDM2 and the uses thereof, US Patent Number  8,088,931, January 3, 2012.

21

Jianyong Chen, Zaneta Nikolovska-Coleska, Dajun Yang, Shaomeng Wang, Haiying Sun, Liang  Xu;, Zengjian Hu, Small molecule antagonists of XIAP family proteins, US Patent Number 7,910,621, March 22, 2011.

20

Shaomeng Wang, Haiying Sun, et al. Conformationally constrained Smac mimetics and the uses thereof, US Patent Number 7,932,382, April 26, 2011.

19

Shaomeng Wang, Haiying Sun, et al. Bivalent Smac mimetics and the uses thereof, US Patent Number  7,960,372, June 14, 2011.

18

Robert B. Dickson, Chen-Yong, Lin, Michael, Johnson, Shaomeng Wang, Istvan, Enyedy, Matriptase, a serine protease and its applications, US Patent Number  7,960,163, June 14, 2011

17

Shaomeng Wang, Ke Ding, Yipin Lu, Zaneta Nikolovska-Coleska, Su Qiu, Guoping Wang, Dongguang Qin, Sanjeev Kumar, Small molecule inhibitors of MDM2 and the uses thereof, US Patent Number  7,759,383, July 20, 2010.

16

Shaomeng Wang, Dongguang Qin, Jiangyong Chen, Shanghai Yu, Indole inhibitors of MDM2 and the uses thereof, US Patent Number  7,737,174, June 15, 2010

15

Shaomeng Wang, Haiying Sun, Zaneta Nikolovska-Coleska, Chao-Yie Yang, Liang Xu, Naoyuki G. Saito,  Jianyong Chen, Conformationally constrained Smac mimetics and the uses thereof, US Patent Number   7,674,787, March 9, 2010.

14

Shaomeng Wang, Jianyong, Chen, John F. W. Keana, Ming Guo, Production of gossypol co-crystals, US Patent No.  7,557,251, July 7, 2009.

13

Shaomeng Wang,  Jiangyong Chen, Gossypol co-crystals and the use thereof, US Patent No. 7,432,300, October 7, 2008.

12

Shaomeng Wang, Dajun Yang, Liang Xu, Small molecule antagonists of Bcl-2 family proteins, US Patent No. 7,432,304, October 7, 2008.

11

Shaomeng Wang, Dajun Yang, Istvan J. Enyedy, ErbB-2 selective small molecule kinase inhibitors, US Patent Number  7,427,689, September 23, 2008.

10

Shaomeng Wang, Dajun Yang, Istvan J. Enyedy, Small molecule inhibitors targeted at Bcl-2, US Patent Number  7,354,928, April 8, 2008.

9

Shaomeng Wang,  Jiangyong Chen, Gossypol co-crystals and the use thereof, US Patent Number  7,342,046, March 11, 2008.

8

Robert B. Dickson, Chen-Yong Lin, Michael Johnson, Shaomeng Wang, Istvan Enyedy, Matriptase, a serine protease and its applications, US Patent Number 7,355,015, April 8, 2008.

7

Barbara J. Gour, Orest W. Blaschuk, Anmar Ali, Feng Ni, Zhigang Chen, Stephanie Denise Michaud, Shaomeng Wang, Zenjian Hu, Peptidomimetic modulators of cell adhesion, US Patent Number 7,268,115, September 11, 2007.

6

Wang, Shaomeng; Yang, Dajun; Enyedy, Istvan J.  Small molecule inhibitors targeted at Bcl-2.  PCT Int. Appl. (2002),   32 pp.  WO  2002013833 US patent No: 6,703,382 Issue date: March 9, 2004.

5

Lin, Chen-Yong; Dickson, Robert B.; Wang, Shaomeng; Enyedy, Istvan; Lee, Sheau-Ling.  Structure-based discovery of inhibitors of matriptase for the treatment of cancer and other conditions, and diagnostic methods.  PCT Int. Appl. (2001),   53 pp.  WO  2001097794  US patent No: 6,677,377 Issue date: Jan 13, 2004.

4

Alan P. Kozikowski, Shaomeng Wang and Lixin Qiao, Substituted 2-Pyrrolidone Activators of PKC, US Patent Number  6,284,784, Issue date: September 4, 2001.

3

Yang, Dajun; Wang, Shaomeng; Lippman, Marc E.; Kozikowski, Alan P. Heregulin Antagonists and Methods For Their Use, Issue date: US Patent No. 6,143,740, Issue date: November 7, 2000.

2

Kozikowski, Alan P.; Wang, Shaomeng; Qiao, Lixin.  Substituted 2-pyrrolidinone activators of PKC.  PCT Int. Appl. (1999),   65 pp. WO  9912901 US Patent No. 5,962,504, Issue date: October 5, 1999.

1

Victor E. Marquez, Jeewoo Lee, Rajiv Sharma, Shaomeng Wang, G.W.A. Milne, Marc Nicklaus, Nancy Lewin, Peter M. Blumberg,  Conformationally restricted diacylglycerol analogues as potent protein kinase C agonists, US Patent No: 5,874,464, February 23, 1999.

 

 

 Book Chapters and Reviews

1

Shaomeng Wang, Dajun Yang, Marc E. Lippman,  Targeting Bcl-2 and Bcl-XL with Non-Peptidic Small-Molecule Antagonists, Semin Oncol. 2003 (5 Suppl 16):133-42. (Review). full text in PDF

2

Shaomeng Wang, Dajun Yang, Marc E. Lippman,  The Bcl-2 Family Proteins, Apoptosis and Breast Cancer, in Diseases of the Breast by Jay Harris, MD, Marc Lippman, MD, Ken Osborn, MD, and Samuel Hellman, MD. Lippincott-Raven Publishers, 2004.

3

Chao-Yie Yang, Shaomeng Wang,  Recent Advances in Design of Small-Molecule Ligands To Target Protein-Protein Interactions, Annual reports in Computational Chemistry, Volume 2, 2006 (Editor, David Spellmeyer).

4

Sanjeev Shangary , Shaomeng Wang, Targeting the MDM2-p53 Interaction for Cancer Therapy Clinical Cacner Research 2008, 14(17):5318-24. full text in PDF

5

S. Shangary, Shaomeng Wang, Small-Molecule Inhibitors of the MDM2-p53 Protein-Protein Interaction to Reactivate p53 Function: A Novel Approach for Cancer Therapy. Annu Rev Pharmacol Toxicol. 2009;49:223-241. full text in PDF

6

Wang S. Design of Small-Molecule Smac Mimetics as IAP Antagonists. Curr Top Microbiol Immunol. 2011;348:89-113. full text in PDF

7

Shaomeng Wang, Design of small-molecule Smac mimetics as IAP Antagonists. In: Small-Molecule Inhibitors of Protein-Protein Interactions, Eds: Lyobomir Vassilev and David Fry, Springer Heidelberg, 2011. full text in PDF

8

Sanjeev Shangary (Kumar), Denzil Bernard, Shaomeng Wang,  "Case Study: Inhibitors of the MDM2-p53 Protein-Protein Interaction" In: Protein Surface Recognition: Approaches for Drug Discovery, Eds: E. Giralt, M. Peczuh and X. Salvatella. John Wiley & Sons, Ltd., 2011, 275-293. full text in PDF

9

Chao-Yie Yang, Denzil Bernard, Shaomeng Wang,  Basic Principles and Practices of Computer-Aided Drug Design. In: Chemical Genomics, Ed: H. Fu, Cambridge University Press, NY, 2012, 259-278. full text in PDF

10

Shaomeng Wang,Yujun Zhao, Denzil Bernard, Angelo Aguilar, Sanjeev (Shangary) Kumar, "Targeting the MDM2-p53 protein-protein interaction for new cancer therapeutics." In: Protein-Protein Interactions, Ed: M. D. Wendt, Springer-Verlag Berlin and Heidelberg GmbH & Co. K. 2012, 57-79.  full text in PDF

11

Denzil Bernard,Yujun Zhao, Shaomeng Wang,  AM-8553: A Novel MDM2 Inhibitor with a Promising Outlook for Potential Clinical Development. J. Med. Chem., 2012, 55(11): 4934-5. full text in PDF

12 Shaomeng Wang, , Bai L, Lu J, Liu L, Yang CY, Sun H. Targeting Inhibitors of Apoptosis Proteins (IAPs) For New Breast Cancer Therapeutics. J Mammary Gland Biol Neoplasia. 2012 Sep 29. full text in PDF
13 Chen J., Jiang C., Shaomeng Wang, LDK378: A Promising Anaplastic Lymphoma Kinase (ALK) inhibitor. J Med. Chem. 2013, 56, 5673-5674. full text in PDF
14 Zhao Y, Yang CY, Wang S. The making of I-BET762, a BET bromodomain inhibitor now in clinical development. J Med Chem. 2013 Oct 10;56(19):7498-500. full text in PDF

15

Bai L., Shaomeng Wang, Targeting Apoptosis Pathways for New Cancer Therapeutics. Annual Reviews of Medicine. 2013 Nov 4. full text in PDF

16

Bai L., Smith DC and Shaomeng Wang, Small-molecule SMAC mimetics as new cancer therapeutics. Pharmcol. Ther. 2014 May 16, S0163-7258(14)00102-8. full text in PDF

Editorial Publications (Editor-in-Chief for Journal of Medicinal Chemistry)

1 Conway SJ. Woster PM, Shen JK, Gunda I. Georg and Shaomeng Wang, Epigenetics: Novel therapeutics targeting epigenetics, J. Med.Chem. 2015, 58(2): 523-524.
2 Cushman M, Gunda I. Georg and Shaomeng Wang, Absolute quantitative (1)h NMR spectroscopy for compound purity determination, J. Med.Chem. 2014, 58(3): 1038-1052.
3 Mike K. Gilson, Gunda I. Georg and Shaomeng Wang, Digital chemistry in the Journal of Medicinal Chemistry, J. Med.Chem. 2014, 57(4): 1137.

4

Gunda I. Georg and Shaomeng Wang, Hepatitis C virus (HCV) therapeutics special thematic issue: Call for Papers, J. Med.Chem. 2013, 56(2): 387.

5

Gunda I. Georg and Shaomeng Wang, Plagiarism, J. Med.Chem. ASAP, Publication Date(Web): December 4, 2012.

6

Gunda I. Georg and Shaomeng Wang, Alzheimer's disease special thematic issue: Call for Papers, J. Med.Chem. 2012, 55(7), 2914.

7

Shaomeng Wang and Gunda I. Georg, Transition in leadership: opportunities and challenges, J. Med.Chem. 2012, 55(1), 1.

Meeting Abstracts

162 Shaomeng Wang, Drugging protein-protein interaction targets for cancer therapy: From apoptosis to epigenetics, 2013 AACR Annual Meeting, Washington, DC, April 8th 2013.
161 Shaomeng Wang, Cassandra Gianna Hoffman-Luca, Longchuan Bai, Jianfeng Lu, Donna McEachern. Understanding and overcoming resistance of MDM2 and Bcl-2/Bcl-xL smallmolecule inhibitors in human cancer. 244th National ACS meeting, Philadelphia, PA, New Orleans, LA, April 7-11, 2013.
160 Bai, Longchuan; Chen, Jianfang; McEachern, Donna; Liu, Liu; Zhou, Haibin;   Aguilar, Angelo; Yang, Chao-Yie; Meagher, Jennifer; Stuckey, Jeanne A.; Wang, Shaomeng. Antitumor activity of BM-1197, a dual inhibitors of Bcl-2 and Bcl-xL, in small cell lung cancer tumors. 24th EORTC-NCI-AACR Symposium on Molecular Targets and Cancer Therapeutics, Nov. 6-9, 2012.
159 Jianfeng Lu, Donna McEachern, Haiying Sun, Longchuan Bai, and Shaomeng Wang. Smac mimetic SM-406 targets prostate cancer tumor initiating cells and enhances the antitumor activity of docetexel in vivo. 24th EORTC-NCI-AACR Symposium on Molecular Targets and Cancer Therapeutics, Nov. 6-9, 2012.
158 Zhao, Yujun; Liu, Liu; Lu, Jianfeng; McEachern, Donna; Sun, Wei; Yu, Shanghai; Bernard, Denzil; Wang, Shaomeng. Reversible isomerization of spiroxindoles and identification of improved MDM2 inhibitors. Abstracts of Papers, 244th ACS National Meeting, Philadelphia, PA, United States, Aug. 19-23, 2012.
157 Wang, Shaomeng; Zhou, Haibin; Chen, Jianfang; Aguilar, Angelo; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer; McEachern, Donna; Cong, Xin; Stuckey, Jeanne A.; Structure-based design of potent and specific non-peptide small molecule inhibitors of Bcl-2 and Bcl-xL as new anticancer agents. Abstracts of Papers, 244th ACS National Meeting, Philadelphia, PA, United States, Aug. 19-23, 2012.
156

Chao-Yie Yang and Shaomeng Wang, “Identification and evaluation of the binding hotspots at the protein-protein interfaces using the cosolvent molecular dynamics simulation and cosolvent mapping analysis.” Abstracts of Papers, 244th ACS National Meeting, Philadelphia, PA, United States, Aug. 19-23, 2012.

155 Chen, Jianyong; Collins, Greogory T.; Levant, Beth; Woods, James; Wang, Shaomeng. Identification of highly potent and selective dopamine D3 ligands. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
154 Sun, Haiying; Lu, Jianfeng; Liu, Liu; Yang, Chao-Yie; McEachern, Donna; Wang, Shaomeng. Orally bioavailable Smac mimetics as antagonists of IAP proteins. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
153 Zhou, Haibin; Meagher, Jennifer; Liu, Liu; Bai, Longchuan; Chen, Jianfang; Aguilar, Angelo; McEachern, Donna; Yang, Chao-Yie; Cai, Qian; Cong, Xin; Stuckey, Jeanne A.; Li, Xiaoqin; Sun, Duxin; Wang, Shaomeng. Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
152 Aguilar , Angelo; Zhou, Haibin; Chen, Jianfang; Liu, Liu; Bai, Longchuan; Yang, Chao-Yie; McEachern, Donna; Meagher, Jennifer; Stuckey, Jeanne A.; Wang, Shaomeng. Structure-activity relationship studies of new and highly potent small molecule Bcl-2/Bcl-xL inhibitors. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
151 Chen, Jianfang; Zhou, Haibin; Aguilar, Angelo; Liu, Liu; Bai, Longchuan; Yang, Chao-Yie; McEachern, Donna; Meagher, Jennifer; Stuckey, Jeanne A.; Wang, Shaomeng. Structure-based design, synthesis and evaluation of a potent, dual inihitors of Bcl-2 and Bcl-xL with in vivo activity. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
150 Liu, Liu; Zhou, Li, Xiaoqin; Sun, Haiying; Lu, Jianfeng; Sun, Duxin; Wang, Shaomeng. Development and optimization of a cell-based assay to determine intracellular concentrations of bivalent SMAC mimetics. Abstracts of Papers, 243th ACS National Meeting, San Diego, CA, United States, Mar. 25-29, 2012.
149 Karatas H, Townsend EC, Bernard D, Dou Y, Wang Shomeng A Series of Peptidomimetic Inhibitors of Mixed Lineage Leukemia 1 (Mll1) - Wd Repeat Domain 5 (WDR5) Interaction as a Novel Approach for Anticancer Drug Development. Miami 2011 Winter Symposium: Epigenetics in Development and Disease, 2011, Miami, FL.
148 Karatas, Hacer; Townsend, Elizabeth; Chen, Yong; Bernard, Denzil; Dou, Yali; Lei, Ming; Wang, Shaomeng. Design, development, and crystal structure of a cell permeable peptidomimetic inhibitor of mixed lineage leukemia 1 (MLL1)-WD repeat domain 5 (WDR5) interaction as a new approach in cancer therapy. Abstracts of Papers, 242th ACS National Meeting, Denvor, CO, United States, Aug. 28-Sep. 1, 2011.
147 Haiying Sun, Jianfeng Lu, Liu Liu, Donna McEachern, Longchuan Bai, Chao-Yie Yang, and Shaomeng Wang. Abstract 3254: Novel bivalent Smac mimetics as a new class of anticancer agents. Cancer Res., Apr 2011; 71: 3254.
146 Shaomeng Wang, Wei Sun, Shanghai Yu, Yu-jun Zhao, Sanjeev Kumar, Donna McEachern, Liu Liu, Denzil Bernard, Duxin Sun, Peng Zou, Xiaqin Li, Han Yi, Jeanne Stuckey, Jianting Long, Sami Malek, Dajun Yang, Snmao Kang, Ming Guo, Brian Wood, Lance Leopold, Mel Sorensen, Cedric Barriere, Isabelle Meaux, Odette Dos-Santos, Jean-christophe Carry, Pierre-yves Abecassis, Anne Charlier, Vincent Ferey, Carlos Garciaecheverria, Christophe Lengauer, and Laurent Debussche. Abstract LB-204: Highly potent and optimized small-molecule inhibitors of MDM2 achieve complete tumor regression in animal models of solid tumors and leukemia.. Cancer Res., Apr 2011; 71: LB-204.
145 Li-Dong Wang, Xiuli Bi, Nicole Pohl, Yulan Cheng, Yixing Zhou, Stephen Shears, Shaomeng Wang, Xiao-Chun Xu, Peng Huang, Zhong Chen, Liang Wang, Jun-Yan Hong, Heng Xie, Qingyi Wei, Stephen Meltzer, Ivan Ding, Paul Okunieff, and Wancai Yang. Abstract 4704: A sequence variant in the phospholipase C epsilon C2 domain is associated with esophageal carcinoma and esophagitis. Cancer Res., Apr 2011; 71: 4704.
144 Beatriz Herreros, Shaomeng Wang, Maria E. Rodriguez, Margarita Sanchez-Beato, Elena Domenech, Raul Cordoba, Julio Delgado, Jose A Garcia-Marco, Juan F. Garcia, José Francisco Tomás, Joaquín Martínez-López, Jose Luis Bello, Antonia Rodriguez, Raquel Villuendas, and Miguel A. Piris. Targeting the Apoptotic Pathway by TW-37, a Novel Bcl-2 Family Small Molecule Inhibitor, In CLL Primary Samples. Blood (ASH Annual Meeting Abstracts), Nov 2010; 116: 2470..
143 Liu, Liu; Zhou, Haibin; Chen, Jianfang; Aguilar, Angelo; Long, Jianting; Nikolovska-Coleska, Zaneta; Meagher, Jennifer; Stuckey, Jeanne; Yi, Han;  Wang, Shaomeng. Development and optimization of fluorescence polarization and mitochondrial function assays for potent B-cell Lymphocyte/Leukemia-2 family proteins inhibitors. Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, Aug. 22-26, 2010.
142 Chen, Jianyong; Bai, Longchuan; Zhao, Yujun; Bernard, Denzil; Nikolovska-Coleska, Zaneta; Gomez, Cindy; Zhang, Jian; Han, Yi; Wang, Shaomeng. Structure-based design of potent, conformationally constrained, cell-permeable STAT3 inhibitors. Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, Aug. 22-26, 2010.
141 Sun, Haiying; Lu, Jianfeng; Liu, Liu; Yang, Chao-Yie; Han, Yi; Wang, Shaomeng. Design, synthesis and evaluation of Smac mimetics as selective cIAP-1 and cIAP-2 inhibitors. Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, Aug. 22-26, 2010.
140 Zhou , Haibin; Chen, Jianfang; Aguilar, Angelo; Cong, Xin; Liu, Liu; Bai, Longchuan; McEachern, Donna; Yang, Chao yie; Yi, Han; Meagher, Jennifer; Stuckey, Jeanne A.; Li, Xiaoqin; Sun, Duxin; Wang, Shaomeng. Structure-based design, synthesis and evaluation of a new class of potent Bcl-2/Bcl-xL inhibitors. Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, Aug. 22-26, 2010.
139 Karatas , Hacer; Townsend, Elizabeth; Bernard, Denzil; Dou, Yali; Wang, Shaomeng. Targeting the interaction of mixed lineage leukemia 1 (MLL1) and wd repeat domain 5 (WDR5) for new anticancer drug design. Abstracts of Papers, 240th ACS National Meeting, Boston, MA, United States, Aug. 22-26, 2010.
138 K. Almhanna, A. S. Azmi, F. H. Sarkar, P. A. Philip, D. Yang, S. Wang, and R. Mohammad. Evaluation of a novel MDM-2 inhibitor with cisplatin/oxalipatin for the treatment of pancreatic cancer independent of p53 mutational status. ASCO Meeting Abstracts, May 2010; 28: e13613
137 Meilan Liu, Chenxi Shen, Martha Larsen, Chao-Yie Yang, Su Qiu, York Tomita, Krzysztof Krajewski, Peter P. Roller, Jeanne Stuckey, Shaomeng Wang, and Zaneta Nikolovska-Coleska. Abstract 4521: Discovery of novel small molecule inhibitors of the antiapoptotic protein Mcl-1 through high-throughput screening approach. Cancer Res., Apr 2010; 70: 4521
136 Asfar S. Azmi, Philip A. Philip, Amro Aboukameel, Sanjeev Banerjee, Zhiwei Wang, Shaomeng Wang, Dajun Yang, Fazlul H. Sarkar, and Ramzi M. Mohammad. Abstract 4535: MDM2 inhibitor MI-319 in combination with cisplatin/oxaliplatin is an effective treatment for pancreatic cancer independent of p53 function. Cancer Res., Apr 2010; 70: 4535
135 Yiqun Jiang, Denzil Bernard, Yanke Yu, Tao Zhang, Yanyan LI, Xueqi Fu, Shaomeng Wang, and Duxin Sun. Abstract 2672: Characterization of Hsp90/Cdc37 interaction and their critical residues using luciferase fragment complementation imaging. Cancer Res., Apr 2010; 70: 2672
134 Liu, Liu; Nikolovska-Coleska, Zaneta; Meagher, Jennifer; Stuckey, Jeanne; Yi, Han;  Wang, Shaomeng. Development and optimization of fluorescence polarization and time-resolved fluorescence resonance energy transfer assays for B-cell Lymphocyte/Leukemia-2 family of proteins. Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, Mar. 21-25, 2010.
133 Beatriz Herreros, Shaomeng Wang, James Robert Bischoff, Ruben Carro, Raul Córdoba, Julio Delgado, Jose Antonio García-Marco, Natalia Gómez, Juan F. García, José Francisco Tomáas, Joaquín Martínez-López, Antonia Rodríguez, Raquel Villuendas, and Miguel A. Piris. Molecular Heterogeneity as a Basis for Rational Therapeutics in Chronic Lymphocytic Leukemia.. Blood (ASH Annual Meeting Abstracts), Nov 2009; 114: 2348.
132 S. Wang, F. Jiang, L. Bai, J. Jianting Long, S. Qiu, J. Chen, and D. McEachern. Effect of (-)-gossypol (AT-101) on transcriptional regulation of Noxa and Puma and on Mcl-1-mediated cancer cell resistance to apoptosis. ASCO Meeting Abstracts, May 2009; 27: e14611.
131 Asfar Azmi, Philip Philip, Zhiwei Wang, Aamir Ahmad, Jiusheng Wu, Amro Aboukameel, Dajun Yang, Shaomeng Wang, Fazlul Sarkar, and Ramzi Mohammad. Abstract #1779: Reactivation of p53 by novel MDM2 inhibitors for pancreatic cancer therapy. AACR Meeting Abstracts, Apr 2009; 2009: 1779.
130 Steven Kawamoto, Andrea Thompson, Adriana Coleska, and Shaomeng Wang. Abstract #3650: Development and utilization of high throughput BCL9/β-catenin binding assays and stabilized α-helical BCL9 peptides to target the BCL9/β-catenin protein-protein interaction as a potential anticancer strategy. AACR Meeting Abstracts, Apr 2009; 2009: 3650.
129 Wang, Shaomeng. Structure-based design of highly potent, specific and orally active small-molecule inhibitors of the MDM2-p53 interaction as a new class of anticancer therapy. Abstracts of Papers, 238th ACS National Meeting, Washington, DC, United States, August 16-20, 2009.
128 Yang, Chao-Yie; Sun, Haiying; Chen, Jianyong; Zaneta, Nikolovska-Coleska; Meagher, Jennifer; Stuckey, Jeanne; Wang, Shaomeng. Ligand conformational free energy and its contribution toward improvement of binding affinity prediction between the XIAP BIR3 domain and its inhibitors. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
127 Sun, Haiying; Lu, Jianfeng; Bai, Longchuan; Zaneta, Nikolovska-Coleska; Yang, Chao-Yie; Qiu, Su; Han, Yi; McEachern, Donna; Wang, Shaomeng. Design, synthesis and evaluation of bivalent conformationally constrained Smac mimetics as inhibitors of IAP family proteins. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
126 Chen, Jianyong; Bai, Longchuan; Nikolovska-Coleska, Zaneta; Zhang, Jian; Gomez, Cindy; Han, Yi; Krzysztof, Krajewski; Sheng, Jiang; Roller, Peter; Wang, Shaomeng. Design, synthesis, biochemical and biological evaluations of novel and potent small-molecule inhibitors of STAT3. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
125 Yu, Shanghai; Qin, Dongguang; Chen, Jianyong; Wang, Guoping; Ding, Ke; Nikolovska-Coleska, Zaneta; Kumar, Sanjeev; Qiu, Su; Benard, Denzil; Lu, Yipin; Kang, Sanmao; Yang, Dajun; Wang, Shaomeng. Design and synthesis of potent , specific and orally active small-molecule inhibitors of the MDM2-p53 interaction. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
124 Cai , Qian; Sun, Haiying; Peng, Yuefeng; Nikolovska-Coleska, Zaneta; Qiu, Su; Bai, Longchuan; Yang, Chao-Yie; Kang, Sanmao; Yang, Dajun; Wang, Shaomeng. Design, synthesis, evaluation of orally active small-molecule Smac as new anticancer drugs. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
123 Peng , Yuefeng; Sun, Haiying; Nikolovska-Coleska, Zaneta; Yang, Chao-Yie; Cai, Qian; Qiu, Su; Wang, Shaomeng. Design, synthesis and biological evaluation of nonpeptidic, cell-permeable bivalent Smac mimetics as potent as potent inhibitors of XIAP. Abstracts of Papers, 237th ACS National Meeting, Salt Lake City, UT, United States, March 22-26, 2009.
122 Luke F Peterson, Shaomeng Wang, and Moshe Talpaz. Enhanced Cytotoxicity in Chronic Myeloid Leukemia Primitive Progenitors by the Combined Action of Imatinib and An HDM2-Inhibitor. Blood (ASH Annual Meeting Abstracts), Nov 2008; 112: 3213
121 Jianting Long, Peter Ouillette, Brian Parkin, Harry Erba, Shaomeng Wang, and Sami Malek. Identification of p53 Aberration-Dependent as Well as Non-p53-Mediated Resistance to MDM2 Inhibitors in Acute Myelogenous Leukemia.. Blood (ASH Annual Meeting Abstracts), Nov 2008; 112: 1607
120 Shaomeng Wang. Abstract ED01-01: Use of natural products as the scaffolds for the design of molecularly targeted agents for cancer treatment and prevention. Cancer Prevention Research, Nov 2008; 1: ED01-01
119 Zhiwei Wang, Wen Song, Sanjeev Banerjee, Amro Aboukameel, Guoping Wang, Shaomeng Wang, Fazlul Sarkar, and Ramzi Mohammad. TW-37, a nonpeptidic small-molecule inhibitor of Bcl-2, inhibits cell invasion and angiogenesis in pancreatic cancer. AACR Meeting Abstracts, Apr 2008; 2008: 2264
118 Amanda Paulson, Korkaya Hasan, Shaomeng Wang, Suling Liu, and Max Wicha. Downregulation of p53 enhances human mammary stem/progenitor cell populations generating hyperplasia and DCIS in NOD-SCID mice. AACR Meeting Abstracts, Apr 2008; 2008: 2024
117 Anshu Giri, Anton-Scott Goustin, Shaomeng Wang, Ayad Al-Katib, and Ramzi Mohammad. Surface plasmon resonance study of apoptotic regulators Bcl-2, Bcl-w, Bcl-XL, Mcl-1 and A1 and the small molecule inhibitor (SMI) TW-37: the idea of a temporal window for drug activity. AACR Meeting Abstracts, Apr 2008; 2008: 3192
116 Shaomeng Wang. Small-molecule approach to block p53-MDM2 interaction as a cancer therapeutic strategy. AACR Meeting Abstracts, Apr 2008; 2008: LB-144
115 Zaneta Nikolovska-Coleska, Su Qiu, Jianting long, Chao-Yie Yang, Martha Larsen, York Tomita, Pat Gee, Han Yi, Krzysztof Krajewski, Jeanne Stuckey, Peter Roller, and Shaomeng Wang. Discovery and characterization of new small-molecule inhibitors of Mcl-1 by high-throughput screening. AACR Meeting Abstracts, Apr 2008; 2008: 4148
114 Anton-Scott Goustin, Anshu Giri, Shaomeng Wang, Ayad Al-Katib, and Mohammad M. Ramzi. Surface Plasmon Resonance Study of Apoptotic Regulators Bcl-2, Bcl-w, Bcl-XL, and Mcl-1 Indicate That the Preclinical Small Molecule Inhibitor (SMI) TW-37 Binds to the Hydrophobic Groove Competitively with tBid To Form a Heterodimer Which Cannot Be Disrupted by 200-Fold Molar Excess of TW-37. Blood (ASH Annual Meeting Abstracts), Nov 2007; 110: 1606
113 Ramzi M. Mohammad, Yuan Sun, Shaomeng Wang, Amro Aboukameel, and Ayad M. Al-Katib. Evaluation of TW-37, a pan Bcl-2 Proteins Small-Molecule Inhibitor, Against Spectrum of Human B-Cell Lines and Patient-Derived Samples.. Blood (ASH Annual Meeting Abstracts), Nov 2007; 110: 4521
112 Sami N. Malek, Peter Ouillette, Lisa Kujawski, Sanjeev Shangary, Moshe Talpaz, Mark Kaminski, Harry Erba, Kerby Shedden, Shaomeng Wang, and Chris Saddler. Comprehensive Biomarker and Genomic Analysis Identifies p53 Status as the Major Determinant of Response to MDM2 Inhibitors in Chronic Lymphocytic Leukemia. Blood (ASH Annual Meeting Abstracts), Nov 2007; 110: 224
111 Haiying Sun, Zaneta Nikolovska-Coleska, Jianfeng Lu, Jennifer Meagher, Chao-Yie Yang, Su Qiu, Krzysztof Krajewski, Peter Roller, Jeanne Stuckey, Han Yi, and Shaomeng Wang. Design, synthesis, and evaluation of bivalent conformationally constrained Smac mimetics that concurrently targeting both BIR2 and BIR3 domain of XIAP. AACR Meeting Abstracts, Oct 2007; 2007: PR-2
110 Sanjeev Shangary, Dongguang Qin, Donna McEachern, Rebecca Miller, Zaneta Nikolovska-Coleska, Meilan Liu, Su Qiu, Ke Ding, Guoping Wang, Jianyong Chen, Yipin Lu, Denzil Bernard, Qingyang Gu, Yi Sun, Rajal Shah, Kenneth Pienta, Xiaolan Lin, Sanmao Kang, Shuguang Zhu, Ming Guo, Dajun Yang, and Shaomeng Wang. A novel orally active MDM2 inhibitor (MI-219) activates the p53 pathway and is selectively toxic to tumor cells. AACR Meeting Abstracts, Oct 2007; 2007: B271
109 Zaneta Nikolovska-Coleska, Jennifer Meagher, Chao-Yie Yang, Sheng Jiang, Su Qiu, Jeanne Stuckey, Peter Roller, and Shaomeng Wang. Design of cyclic Smac mimetic peptide and in vitro characterization of its complex with X-linked inhibitor of apoptosis protein (XIAP). AACR Meeting Abstracts, Oct 2007; 2007: B288
108 Jianfeng Lu, Haiying Sun, Donna McEachern, Rebecca Miller, Su Qiu, Han Yi, Zaneta Nikolovska-Coleska, Dajun Yang, and Shaomeng Wang. In vivo tumor regression achieved by a potent bivalent Smac mimetic (SM-164) in combination with TRAIL. AACR Meeting Abstracts, Oct 2007; 2007: C228
107 Feng Jiang, Jianting Long, Sanjeev Shangary, Su Qiu, Meilan Liu, Guozhi Tang, ke Ding, Zaneta Nikolovska-Coleska, Dajun Yang, and Shaomeng Wang. BI-33, a novel and potent pan-Bcl-2 inhibitor, induces apoptosis in cancer cells and shows combinational effect with chemo drugs. AACR Meeting Abstracts, Oct 2007; 2007: C229.
106 Jianting Long, Zaneta Nikolovska-Coleska, Feng Jiang, Sanjeev Shangary, Peter Roller, and Shaomeng Wang. Development and validation of mitochondria-based functional assays to investigate the mechanism of small-molecule inhibitors of Bcl-2/Bcl-xL/Mcl-1 (BH3 mimetics) in cell-free systems. AACR Meeting Abstracts, Oct 2007; 2007: A214.
105 Lu, Yipin; Qin, Dongguang; Yang, Chao-Yie; Ke, Ding; Nikolovska-Coleska, Zaneta; Wang, Shaomeng. Investigation of MDM2-inhibitor interaction by molecular dynamics and free energy calculations. Abstracts of Papers, 234th ACS National Meeting, Boston, MA, United States, August 19-23, 2007.
104 Naoyuki Saito, Dawn Woods, and Shaomeng Wang. Evaluation of a non-peptide Smac mimetic as a potent radiosensitizer of human non-Hodgkins lymphoma cell lines. AACR Meeting Abstracts, Apr 2007; 2007: 760
103 Dajun Yang, Sanjeev Kumar, Xiongwen Zhang, Dongguang Qin, Sanmao Kang, Ke King, Su Qiu, Meilan Liu, Zaneta Nikolovska-Coleska, Donna McEachern, Rebecca Miller, Yipin Lu, Shanghai Yu, Guoping Wang, Jianyong Chen, Xiaolan Ling, Yanqiong Lin, Shi Liu, Ping Min, Jay Stoudemire, and Shaomeng Wang. Preclinical characterization of MI-219, A novel, potent and orally active small molecule inhibitor of the MDM2-p53 interaction. AACR Meeting Abstracts, Apr 2007; 2007: LB-365
102 Bhavna Kumar, Joshua Bauer, Joseph Taylor, Ke Ding, Thomas Carey, Shaomeng Wang, and Carol Bradford. Targeting p53-mdm2 interaction using a potent mdm2 inhibitor to overcome cisplatin resistance in head and neck squamous cell carcinoma. AACR Meeting Abstracts, Apr 2007, 3202.

101

Peng, Yuefeng; Sun, Haiying; Nikolovska-Coleska, Zaneta; Qiu, Su; Yang, Chao-Yie; Wang, Shaomeng. Design and evaluation of novel smac mimetics as potent inhibitors of XIAP. Abstracts of Papers, 233rd ACS National Meeting, Chicago, IL, United States, March 25-29, 2007.

100

Chen, Jianyong; Nikolovska-Coleska, Zaneta; Gomez, Cindy; Yang, Chao-Yie; Gao, Wei; Krajewski, Krzysztof; Jiang, Sheng; Roller, Peter; Wang, Shaomeng. Design and synthesis of potent small-molecule inhibitors of Stat-3. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

99

Wang, Shaomeng; Sun, Haiying; Lu, Jianfeng; Nikolovska-Coleska, Zaneta; Qiu, Su; Qin, Dongguang; Peng, Yuefeng; Yi, Han; Gao, Wei; Yang, Chao-Yie; Stuckey, Jeanne; Meagher, Jennifer; Krajewski, Krzysztof; Jiang, Sheng; Roller, Peter P. Design of bivalent Smac mimetics as highly effective and specific apoptosis inducers in cancer cells. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

98

Tang, Guozhi; Ding, Ke; Guo, Jie; Nikolovska-Coleska, Zaneta; Yang, Chao yie; Wang, Renxiao; Long, Jianting; Qiu, Su; Kumar, Sanjeev; Gao, Wei; Stuckey, Jeanne; Krajewski, Krzysztof; Jiang, Sheng; Roller, Peter P.; Wang, Shaomeng. Design, synthesis and evaluation of a new class of potent and cell-permeable small molecule inhibitors of Bcl-2 and Mcl-1. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

97

Sun, Haiying; Zaneta, Nikolovska-Coleska; Lu, Jianfeng; Yang, Chao-Yie; Qiu, Su; Wang, Shaomeng. Design, synthesis and evaluation of conformationally constrained bivalent Smac mimetics as inhibitors of IAP family proteins. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

96

Qin, Dongguang; Ding, Ke; Wang, Guoping; Nikolovska-Coleska, Zaneta; Lu, Yipin; Qiu, Su; Kumar, Sanjeev; Gao, Wei; Stuckey, Jeanne; Krajewski, Krzysztof; Roller, Peter; Wang, Shaomeng. Design, synthesis and evaluation of spirooxindoles as potent and specific non-peptide small-molecule inhibitors of the MDM2-p53 interaction. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

95

Lu, Yipin; Nilolovska-Coleska, Zaneta; Qiu, Su; Kumar, Sanjeev; Gao, Wei; Fang, Xueliang; Qin, Dongguang; Wang, Shaomeng. Discovery of potent small molecule inhibitors of the MDM2-p53 interaction through pharmacophore-based and structure-based database screening. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

94

Krajewski, Krzysztof; Nikolovska-Coleska, Zaneta; Wang, Shaomeng; Roller, Peter P. MDM2 inhibitory peptides: Side chains cyclization as a method of stabilization of the biologically active helical conformation. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

93

Lu, Yipin; Nilolovska-Coleska, Zaneta; Qiu, Su; Wang, Shaomeng. Structure-based discovery of small molecule inhibitors of XIAP. Abstracts of Papers, 232nd ACS National Meeting, San Francisco, CA, United States, Sept. 10-14, 2006.

92

Ding, Ke; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Zhang, Manchao; Liu, Mei Lan; Yang, Dajun; Tomita, York; Wang, Shaomeng. Design, synthesis and biological evaluation of novel small-molecule inhibitors of Bcl-2 and Bcl-xL proteins. Abstracts of Papers, 229th ACS National Meeting, San Diego, CA, United States, March 13-17, 2005.

91

Wang, Guoping; Nilolovska-Coleska, Zaneta; Wang, Renxiao; Guo, Jie; Qiu, Su; Gao, Wei; Kumar, Sanjeev; Tomita, York; Wang, Shaomeng. Design, synthesis and biological evaluation of novel small-molecule inhibitors of Bcl-2 and Bcl-xL proteins. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

90

Chen, Jianyong; Zaneta, Nikolovska-Coleska; Yang, Chao-Yie; Wang, Guoping; Su, Qiu; Xu, Liang; Wang, Shaomeng. Design, synthesis and biological evaluation of small-molecule inhibitors of XIAP. Abstracts of Papers, 229th ACS National Meeting, San Diego, CA, United States, March 13-17, 2005.

89

Sun, Haiying; Qin, Dongguang; Nikolovska-Coleska, Zaneta; Yang, Chao yie; Kumar, Sanjeev; Gao, Wei; Qiu, Su; Lu, Jianfeng; Tomita, York; Roller, Peter P.; Wang, Shaomeng. Design, synthesis and evaluation of conformationally restricted Smac mimetics as inhibitors of IAP family proteins. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

88

Wang, Shaomeng; Lu, Yipin; Yang, Chao-Yie; Wang, Renxiao. Importance of bridging water molecules to protein-ligand binding free-energy. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

87

Tang, Guozhi; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Guo, Jie; Liu, Mei Lan; Qiu, Su; Tomita, York; Wang, Shaomeng. Structure-based design of a class of potent small molecule inhibitors of Bcl-2 and Bcl-xL proteins. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

86

Wang, Shaomeng; Ding, Ke; Lu, Yipin; Nikolovska-Coleska, Zaneta; Qiu, Su; Kumar, Sanjeev; Roller, Peter P.; Tomita, York; Krajewski, Krzysztof; Deschamps, Jeffrey R. Structure-based design of potent, non-peptide small-molecule inhibitors of the MDM2-p53 interaction starting from an inactive lead. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

85

Hu, Zengjian; Bowen, Donnell; Wang, Shaomeng; Southerland, William M. WinDock: An integrated structure-based drug discovery environment using graphical user interface. Abstracts of Papers, 230th ACS National Meeting, Washington, DC, United States, Aug. 28-Sept. 1, 2005.

84

Wang, Shaomeng; Wang, Renxiao; Lu, Yipin; Fang, Xueliang; Yang, Chao-Yie. A Comprehensive Evaluation of Current Scoring Functions in Binding-Affinity Prediction and Molecular Docking and Where Do We Go  From Here. Abstracts, 36th Central Regional Meeting of the American Chemical Society, Indianapolis, IN, United States, June 2-4 (2004)

83

Yang, Chao-Yie; Wang, Renxiao; Wang, Shaomeng. Analysis of changes of protein fluctuation upon ligand binding and incorporation of protein fluctuation into scoring function development for structural-based drug design. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

82

Wang, Renxiao; Fang, Xueliang; Lu, Yipin; Yang, Chao-Yie; Wang, Shaomeng. Collection of binding affinities for protein-ligand complexes with known 3-D structures: The PDBbind database. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

81

Tang, Guozhi; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Xu, Liang; Liu, Mei-Lan; Zhang, Manchao; Yang, Dajun; Tomita, York; Wang, Shaomeng. Design, synthesis and biological evaluation of novel small-molecule inhibitors of Bcl-2 and Bcl-xL proteins based upon gossypol. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

80

Ding, Ke; Chen, Jianyong; Ji, Min; Wu, Xihan; Varady, Judith; Levant, Beth; Wang, Shaomeng. Design, synthesis and evaluation of enantiomerically pure substituted hexahydropyrazinoquinolines as potent and highly selective dopamine 3 receptor ligands. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

79

Wang, Guoping; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Xu, Liang; Tang, Wen-Hua; Liu, Mei-Lan; Zhang, Manchao; Yang, Dajun; Lippman, Marc E.; Tomita, York; Wang, Shaomeng. Design, synthesis and testing of novel and highly potent Bcl-2 inhibitors as new anti-cancer agents. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

78

Hu, Zengjian; Wang, Shaomeng; Southerland, William M. Dock odysseys. II. The evaluation of AutoDock program and its comparison with other docking programs. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

77

Fang, Xueliang; Wang, Renxiao; Wang, Shaomeng. Estimation of conformational entropy loss in protein-ligand binding process using 2-D and 3-D graph indices. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

76

Wang, Shaomeng; Wang, Renxiao; Fang, Xueliang; Yang, Chao-Yie; Lu, Yipin. How well can we score now and where do we go from here: Comprehensive evaluation of 13 scoring functions on 800 protein-ligand complexes and development of new scoring functions. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

75

Lu, Yipin; Wang, Renxiao; Yang, Chao-yie; Wang, Shaomeng. Important roles of crystallographic water molecules in protein-ligand interaction: A comprehensive analysis of water molecules observed in the X-ray crystal structures of protein-ligand complex. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

74

Hu, Zengjian; Southerland, William M.; Wang, Shaomeng. Investigation of molecular chirality in 3D chemical structure databases. Abstracts of Papers, 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004.

73

Chen, Jianyong; Zaneta, Nikolovska Coleska; Xu, Liang; Wang, Shaomeng. Smac peptido-mimetics as XIAP inhibitors. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

72

Sun, Haiying; Nikolovska-Coleska, Zaneta; Yang, Chao-Yie; Xu, Liang; Tomita, York; Krajewski, Krzysztof; Roller, Peter P.; Wang, Shaomeng. Structure-based design, synthesis and evaluation of conformationally constrained Smac mimetics that target XIAP/caspase-9 interaction site. Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004.

71

Wang, Renxiao; Fang, Xueliang; Lu, Yipin; Wang, Shaomeng. The PDBbind Database: Collection of Binding Affinities for Protein-Ligand Complexes with Known Three-Dimensional Structures. Abstracts, 36th Central Regional Meeting of the American Chemical Society, Indianapolis, IN, United States, June 2-4 (2004)

70

Mohammad, Ramzi M.; Al-Katib, Ayad; Chen, Ben; Aboukameel, Amro; Wang, Guoping; Chen, Jianyoung; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Wang, Shaomeng. Preclinical trial of BL-193 and TW-37, new Bcl-2/Bcl-XL small molecule inhibitors, against diffuse large cell lymphoma (DLCL) xenograft model. Proc AACR 45 (#4663), 2004. (Poster Discussion).

69

Wolter, Keith G.; Bauer, Joshua A.; D'Silva, Nisha J.; Wang, Shaomeng; Carey, Thomas E.; Bradford, Carol R. The role of proapoptotic Bcl-2 family member Bax in BL-193 mediated cell death. Proc AACR 45 (#2932), 2004

68

Yang, Dajun; Zhang, Manchao; Ding, Ke; Nikolovska-Coleska, Zaneta; Xu, Liang; Tang, Wenhua; Wang, Renxiao; Roller, Peter; Lippman, Marc E.; Wang, Shaomeng. Induction of apoptosis and anti-tumor activity of bl-k49: a novel and selective small molecule inhibitor of Bcl-2. Proc AACR 45 (#3996), 2004, Oral Presentation.

67

Xu, Liang; Nikolovska-Coleska, Zaneta; Hu, Zengjian; Tang, Wenhua; Tomita, York; Li, Peng ; Roller, Peter P.; Wang, Renxiao; Fang, Xueliang; Lippman, Marc E. ; Zhang, Manchao; Yang, Dajun; Wang, Shaomeng. Discovery and Therapeutic Potential of a Novel Small Molecule Inhibitor of IAP through Structure-Based Computational Screening of Traditional Herbal Medicine Three-Dimensional Structural Database. Proc AACR 45 (#LB-242), 2004.

66

Bauer, Joshua A.; Taylor, Joseph; Helmstaedter, Victor; Oliver, Christopher; Wu, Xihan; Chen, Jianyong; Wang, Shaomeng; Bradford, Carol R.; Carey, Thomas E.. Wild-type p53 enhances induction of apoptosis by (-)-Gossypol (BL-193) in head and neck squamous cell carcinoma cell lines. Proc AACR 45 (#3027), 2004.

65

Wang, Shaomeng; Wang, Guoping; Xu, Liang; Nikolovska-Coleska, Zaneta; Wang, Renxiao; Tang, Guozhi; Zhang, Manchao; Tang, Wen-Hua; Roller, Peter; Tomita, York; Lippman, Marc E.; Yang, Dajun. Design, in vitro and in vivo testing of the therapeutics potential of novel and potent Bcl-2/Bcl-xL small-molecule inhibitors in human breast cancer prostate cancer models. Proc AACR 45 (#3027), 2004.

64

Saito, Naoyuki G.; Xu, Liang; Sun, Haiying; Chen, Jianyong; Nikolovska-Coleska, Zaneta; Stuckey, Jeanne A.; Lippman, Marc E.; Lawrence, Theodore S.; Wang, Shaomeng. Evaluation of Smac peptidomimetics as potential radiosensitizing agents in human cancer cells Proc AACR 45 (#4146), 2004.

63

Hu, Zengjian; Zhu, Zhendong; Zhang, Zhong-Yin; Faden, Alan I.; Movsesyan, Vilen; Wang, Shaomeng. Computational structure-based database searching for the discovery of small molecule ligands of PTEN protein. Abstracts of Papers, 226th ACS National Meeting, New York, NY, United States, September 7-11, 2003.

62

Nikolovska-Coleska, Zaneta; Li, Peng; Roller, Peter P.; Tomita, York; Wang, Shaomeng. Development of a fluorescence polarization assay for identification of inhibitors of the XIAP-Smac protein-protein interaction. Abstracts of Papers, 226th ACS National Meeting, New York, NY, United States, September 7-11, 2003.

61

Nikolovska-Coleska, Zaneta; Hu, Zengjian; Fang, Xueliang; Tomita, York; Zhang, Manchao; Xu, Liang; Yang, Dajun; Li, Peng; Roller, Peter; Wang, Shaomeng. Structure-Based Discovery of Non-Peptidic, Small molecule Inhibitors of XIAP. Abstracts of Papers, 226th ACS National Meeting, New York, NY, United States, September 7-11, 2003.

60

Wang, Shaomeng; Wang, Renxiao; Yang, Chao-Yie; Stuckey, Jeanne; Tomita, York; Yang, Dajun; Li, Peng; Roller, Peter P.; Sun, Haiying; Ding, Ke; Wang, Guoping; Tang, Guozhi; Chen, Jianyong; Zhang, Manchao; Nikolovska-Coleska, Zaneta; Cao, Yeyu; Wu, Xihan. Flexibility of antideath protein Bcl-xL and the significance for designing small-molecule inhibitors. Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003.

59

Lin, Jiayuh; Jin, Xiaohong; Gossett, Dana R.; Wang, Shaomeng. Inhibition of AKT oncogenic pathway in endometrial cancer cells. Cell and Molecular Biology of Endometrial Carcinoma, [International Symposium of the Japan Human Cell Society], 15th, Tokyo, Japan, Aug. 30-31, 2002 (2003), Meeting Date 2002, 139-149.

58

Nikolovska-Coleska, Zaneta; Hu, Zengjian; Fang, Xueliang; Tomita, York; Zhang, Manchao; Xu, Liang; Yang, Dajun; Lippman, Marc E.; Li, Peng; Roller, Peter P.; Wang, Shaomeng. Structure-based discovery of non-peptide, small molecule inhibitors of XIAP. Abstracts of Papers, 226th ACS National Meeting, New York, NY, United States, September 7-11, 2003.

57

Wu, Xiongwu; Wang, Shaomeng; Brooks, Bernard R. Direct observation of the folding and unfolding of a b-hairpin in explicit water through computer simulation. Abstracts of Papers, 224th ACS National Meeting, Boston, MA, United States, August 18-22, 2002.

56

Roller, Peter P.; Long, Ya-Qiu; Li, Peng; Lee, Sheau-Ling; Lin, Chen-Yong; Enyedy, Istvan; Wang, Shaomeng; Dickson, Robert B. Bicyclic peptide inhibitors of an epithelial cell-derived transmembrane protease, matriptase. Peptides: The Wave of the Future, Proceedings of the Second International and the Seventeenth American Peptide Symposium, San Diego, CA, United States, June 9-14, 2001.

55

Varady, Judith; Wang, Shaomeng. Molecular basis of ligand binding potency and selectivity at the D3 receptor. Abstracts of Papers, 222nd ACS National Meeting, Chicago, IL, United States, August 26-30, 2001.

54

Wang, Shaomeng; Sakamuri, Sukumar; Enyedy, Istvan; Wang, Jiansuo; Kozikowski, Alan P.; Tella, Srihari; Zaman, Wahiduz A.; Johnson, Kenneth M. Pharmacophore-based discovery and design of novel DAT inhibitors as potential therapy for the treatment of cocaine addiction. Abstracts of Papers, 222nd ACS National Meeting, Chicago, IL, United States, August 26-30, 2001.

53

Wu, Xiong-Wu; Wang, Shaomeng. Protein structure prediction through SGMD simulation combined with NMR dipolar coupling data, Gordon Research Conference on Computational Chemistry, Oxford, UK, July, 2000.

52

Wang, Shaomeng. Harness the power of computer in drug discovery and design, 220th ACS National Meeting, Washington, D.C., August 20-24, 2000.

51

Enyedy, Istvan J.; Lee, Sheau-Ling; Lin, Chen-Yong; Dickson, Robert B.; Wang, Shaomeng. Structure based design of inhibitors for matriptase, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

50

Shao, Lei; Yang, Dajun; Wang, Shaomeng. Informatics-based approach for drug discovery, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

49

Zhao, Lianyun; Qiao, Lixin; Rong, Suobao; Wu, Xiongwu; Wang, Shaomeng; Tian, Jie; Glazer, Robert I.; Savage, Jason; Roth, Bryan; Kozikowski, Alan P. Design, synthesis, and evaluation of a new class of protein kinase C modulators as prostate cancer inhibitors, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

48

Rong, Suo-Bao; Zhao, Lianyun; Qiao, Lixin; Wang, Shaomeng; Kozikowski, Alan P. Molecular modeling studies of the interactions between protein kinase C and its ligands, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

47

Zhu, Zhendong; Hu, Zenjian; Rong, Suobao; Enyedy, Istvan J.; Wang, Shaomeng. Systematic investigations of flexible ligand docking methods, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

46

Sakamuri, Sukumar; Enyedy, Istvan J.; Kozikowski, Alan P.; Mamczarz, Jacek; Bandyopadhyay, Bidhan C.; Deschaux, Olivier; Tella, Srihari R.; Zaman, Wahiduz A.; Johnson, Kenneth M.; Wang, Shaomeng. Discovery, molecular modeling, and structure-activity relationships of 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, a novel dopamine transporter inhibitor, 220th ACS National Meeting, Washington, D C, August 20-24, 2000.

45

Enyedy, Istvan J.; Sakamuri, Sukumar; Kozikowsky, Alan P.; Mamczarz, Jacek; Bandyopadhyay, Bidhan C.; Tella, Srihari R.; Zaman, Wahiduz A.;  Johnson, Kenneth M.; Wang, Shaomeng. Discovery of potent and novel dopamine transporter inhibitors through 3D-database pharmacophore searching, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

44

Varady, Judith; Wang, Shaomeng. Molecular modeling studies of the D3 receptor and discovery of new D3 ligands through 3D-database pharmacophore searching, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

43

Rong, Suo-Bao; Hu, Youhong; Wang, Shaomeng; Kozikowski, Alan P. Molecular modeling studies of the Akt PH domain and its interaction with phosphoinositides, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

42

Varady, Judith; Wu, Xiongwu; Wang, Shaomeng. Reversible and competitive binding of b-cyclodextrin to benzyl alcohol in aqueous solution through molecular dynamics simulations, 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

41

Wang, Shaomeng; Shao, Lei; Sakamuri, Sritha; Hu, Zengjian. 3D structural database of small molecules from traditional Chinese medicine and its use in drug discovery. 220th ACS National Meeting, Washington, DC, August 20-24, 2000.

40

Richert, John; Wu, Xiongwu; Robinson, Eve D.; Kattab, Michael; Bredy, Brunel; Varady, Judith; Wang, Shaomeng. Three-dimensional modeling of a myelin basic protein-specific human T-cell receptor, 125th Annual Meeting of the American Neurological Association, Boston, MA, Oct 15-18, 2000

39

Lung, Feng-Di T.; Sastry, Lakshmi; Wang, Shaomeng; Lou, Bih-Show; Barchi, Joseph J.; King, C. Richter; Roller, Peter P. Novel non-phosphorylated peptides binding to the Grb2-SH2 domain. Peptides: Frontiers of Peptide Science, Proceedings of the American Peptide Symposium, 15th, Nashville, June 14-19, 1997 (1999), Meeting Date 1997, 582-583.

38

Lin, Chen-Yong; Enyedy, Istvan J.; Wang, Shaomeng; Dickson, Robert D. Structural basis of the interaction between matriptase and its cognate Kunitz-type inhibitor. Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22-26, 1999.

37

Yao, Zhu-Jun; Ye, Bin; Zhao, He; Yan, Xinjian; Wu, Li; Barford, David; Wang, Shaomeng; Zhang, Zhong-Yin; Burke, Terrence R., Jr. Structure-based design of small molecule protein-tyrosine phosphatase inhibitors. Peptides: Frontiers of Peptide Science, Proceedings of the American Peptide Symposium, 15th, Nashville, June 14-19, 1997 (1999), Meeting Date 1997, 183-185.

36

Wu, Xiongwu; Wang, Shaomeng. Protein folding through self-guided molecular dynamics simulations, 1999 Protein Folding Meeting, West Virginia, April, 1999.

35

Enyedy, Istvan; Lin, Chen-young; Dickson, Robert; Wang, Shaomeng. Structural basis of the interaction between matriptase and its cognate, kunitz-type inhibitor, 218th ACS National Meeting, New Orleans, Aug. 22-26, 1999.

34

Wang, Shaomeng. Discovery of novel DAT inhibitors as potential cocaine antagonists through 3D-database pharmacophore searching, NIDA 25th Anniversary Symposium, Bethesda, MD, October, 1999.

33

Wang, Shaomeng; Wu, Xiong-Wu. Folding Mechanism of Protein Secondary Structures, Gordon Research Conference on Computational Chemistry, June, 1998.

32

Liu, Ming; Wu, Xiongwu; Wang, Shaomeng. A new Monte Carlo docking method. Book of Abstracts, 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997.

31

Hong, Huixiao; Wang, Shaomeng; Nicklause, Marc C.; Milne, George W. A. HIV-1 integrase pharmacophore identification. Book of Abstracts, 213th ACS National Meeting, San Francisco, April 13-17, 1997.

30

Zhao, He; Neamati, Nouri; Sunder, Sanjay; Hong, Huixiao; Wang, Shaomeng; Milne, George W.; Pommier, Yves; Burke, Terrence R. Jr. Hydrazide-containing inhibitors of HIV-1 integrase. Book of Abstracts, 213th ACS National Meeting, San Francisco, April 13-17, 1997.

29

Milne, George W. A.; Wang, Shaomeng; Nicklaus, Marc C. Pharmacophores in drug discovery. Book of Abstracts, 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997.

28

Burke, Terrence R. Jr.; Yao, Zhu-Jun; Ye, Bin; Wang, Shaomeng; Zhang, Zhong-Yin. Structure-based design of protein-tyrosine phosphatase 1B inhibitors. Book of Abstracts, 213th ACS National Meeting, San Francisco, April 13-17, 1997.

27

Kozikowski, Alan P.; Qiao, Lixin; Wang, Shaomeng; George, Cliff; Lewin, Nancy E.; Blumberg, Peter M. Synthesis, modeling and bioactivity of a new class of PKC modulators. Book of Abstracts, 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997.

26

Yao, Zhu-Jun; Zhang, Zhong-Yin; Wang, Shaomeng; Burke, Terrence. Development of High Affinity Protein-Tyrosine Phosphatase 1B Inhibitors Based On F2PMP-Containing Dipeptide Mimetics, 35th National Organic Symposium, San Antonio, Texas, June 22-26, 1997.

25

Burke, Terrence; Yao, Zhu-Jun; Ye, Bin; Wang, Shaomeng; Zhang, Zhong-Yin; Barford, David, Structure-Based Design of Protein-Tyrosine Phosphatase Inhibitors, 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997.

24

Lixin, Qiao; Shaomeng Wang; Lewin, N.E.; Blumberg, P.M.; Kozikowski, A.P., Structure-based design of a novel class, high affinity Protein Kinase C Ligands, 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997.

23

Richert, J. R.; Wang, Shaomeng; Robinson, Eve D.; Wu, Xiong-wu; Hastings, Alice E., 3-Dimensional Structure of a Myelin Basic Protein (MBP) Peptide/HLA/T Cell Receptor Trimolecular Complex, 13th International Congress of Neuropathology, September, 1997.

22

Wang, Shaomeng; Robinson, Eve D.; Wu, Xiong-wu; Hastings, Alice E. ; Hurley, Carloyn K.; Richert, John R., Modeling of a Myelin Basic Protein-Specific Human T-Cell Receptor, Annals of Neurology, September, 1997

21

Yao, Zhu-Jun; Zhao, He; Huang, Xiaolin; Barchi, Joseph J.; Sastry, Lakshmi; Wang, Shaomeng; King, C. Richter; Burke, Terrence R., Peptide Mimetic Inhibitors of GRB2 SH2 Domain Binding Interactions, First International Peptide Symposium, Kyoto, Japan, Nov. 30-Dec. 5, 1997.

20

Lung, Feng-Di T.; Sastry, Lakshimi; Wu, Xiong-Wu; Wang, Shaomeng; Lou, Bih-Show; Barchi, Joseph J.; King, C. Richter; Roller, Peter P., Novel non-phosphorylated peptides binding to the Grb2 SH2 domain, First International Peptide Symposium, Kyoto, Japan, Nov. 30-Dec. 5, 1997.

19

Hong, Huixiao; Neamati, Nouri; Wang, Shaomeng; Nicklaus, Marc; Pommier, Yves; Milne, George W. A. Discovery of novel HIV-1 integrase inhibitors. Book of Abstracts, 212th ACS National Meeting, Orlando, FL, August 25-29, 1996.

18

Wang, Shaomeng; Nicklaus, M. C.; Milne, G. W. A.; Yan, Xinjian; Rice, William G. Binding modes of novel HIV protease inhibitors by molecular modeling. Book of Abstracts, 210th ACS National Meeting, Chicago, IL, August 20-24, 1995.

17

Milne, G. W. A.; Nicklaus, M. C.; Wang, Shaomeng. Use of 3D pharmacophore searching in drug lead discovery. Book of Abstracts, 210th ACS National Meeting, Chicago, IL, August 20-24 1995.

16

Wang, S. Molecular Modeling of Protein Kinase C, 1995 National Cancer Institute Symposium of Molecular Modeling in Drug Lead Discovery, Bethesda, MD, May, 1995.

15

Wang, S. The HIV Protease Pharmacophore. New Lead Inhibitors, 1995 National Cancer Institute Symposium of Molecular Modeling in Drug Lead Discovery, Bethesda, MD, May, 1995.

14

Milne, G.W.A., Wang, S. and Nicklaus, M.C. 3D Modeling of Protein-Substrate Interactions, XIth International Conference on Computers in Chemical Research and Education, Paris, France, July, 1995.

13

Zaharevitz, Daniel W.; Yan, Xinjian; Wang, Shaomeng; Milne, G. W. A. An update to the NCI drug information system 3D database. Proceedings of the First Electronic Computational Chemistry Conference [CD-ROM] (1995), Meeting Date 1994.

12

Wang, S., Milne, G.W.A., Zaharevitz, D.W., Sharma, R., Marquez, V.E., Lewin, N.E., Blumberg, P.M., Rice, W. Computer 3D-database pharmacophore search and molecular modeling in the discovery of novel potential anti-cancer and anti-AIDS drugs. 1994 NIH Research Festival, September 12, 1994.

11

Sharma, R., Wang, S., Milne, G.W.A., Lewin, N.E., Blumberg, P.M., Marquez, V.E. Design, molecular modeling, and synthesis of novel and potent PK-C agonists. 1994 NIH Research Festival, September 12, 1994.

10

Marquez, V.E., Lee, J., Sharma, R., Lewin, N.E., Blumberg, P.M., Milne, G.W.A., Wang, S. The design of potent PK-C agonists based on a constrained diacylglycerol template. 208th National American Chemical Society Meeting, Washington, DC, 8/21-26, 1994.

9

Sharma, R., Wang, S., Milne, G.W.A., Lewin, N.E., Blumberg, P.M., Marquez, V.E. Discovery of N,N-Bis(2-hydroxyl ethyl)sulfonamide as novel protein kinase C agonists. 208th National American Chemical Society Meeting, Washington, DC, August 21-26, 1994.

8

Wang, S., Milne, G.W.A., Zaharevitz, D.W., Sharma, R., Marquez, V.E., Lewin, N.E., Blumberg, P.M. The discovery of novel structurally diverse PK-C agonists through computer 3D-database pharmacophore search. Molecular Modeling Studies. 208th national American Chemical Society Meeting, Washington, DC, 8/21-26, 1994.

7

Milne, G.W.A. and Wang, S. The applications of computer in toxicology study. 208th National American Chemical Society Meeting, Washington, DC, 8/21-26, 1994.

6

Wang, S., Milne, G.W.A., Zaharevitz, D.W., Sharma, R., Marquez, V.E., Lewin, N.E., Blumberg, P.M. The discovery of novel structurally diverse PK-C agonists through computer 3D-database pharmacophore search. Molecular Modeling Studies. The 2nd Annual Development of Small Molecule Mimetic Drugs, Philadelphia, PA, 4/11-12, 1994.

5

Nicklaus, M.C., Wang, S., Driscoll, J.S., Milne, G.W.A. The conformational changes of small molecules binding to proteins. 207th National American Chemical Society Meeting, San Diego, CA, 3/13-17, 1994.

4

Sharma, R., Marquez, V.E., Wang, S., Lewin, N.E., Blumberg, P.M. 4-Bis(hydroxymethyl)4-butanolide: A promising template for the construction of conformationally constrained diacylglycerols. 207th National American Chemical Society Meeting, San Diego, CA, 3/13-17, 1994.

3

Klopman, G., Wang, S., Jacobs, M. Ellner, J. Structure-Activity Relationships of Fluroquinolones against M. Avium, 33rd Inter-Science Conferences on Anti-microbacteria Agents and Chemotherapy, New Orleans, 1993.

2

Jacobs,M., Klopman,G., Bajaksouzian,S., Wang, S., Edmonds, K., Morrissy, A., and Ellner, J.J. In Vitro Activities of 87 New Quinolones Against M. Avium, 93rd Annual Meetings of American Society for Microbiology, Atlanta, GA, 1993.

1

Jacobs, M., Klopman, G., Wang, S., Ellner, J.J. In Vitro Activities and Structure-Activity Relationships of Fluroquinolones Against M. Avium, National Cooperative Drug Discovery Groups for the Treatment of Opportunistic Infections Meetings, Washington D.C., 1993.

 

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Last updated on August 3, 2015 by Chao-Yie Yang