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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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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 2007, [Epub ahead of print] 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 2007, [Epub ahead of print] 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, 12, (49),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

144

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, 3, 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 1(-)-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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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

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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

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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

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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

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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

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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

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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

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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

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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

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Wang, S.; Yang, D.; Lippman, M. E., Targeting Bcl-2 and Bcl-XL with nonpeptidic small-molecule antagonists. Seminars in Oncology 2003, 30, (5, Suppl. 16), 133-142. full text in PDF

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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-arylal