The use of spirocyclic scaffolds in drug discovery von Zheng, Yajun, Tice, Colin M., Singh, Suresh B.

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The Medicinal Chemistry of Liver X Receptor (LXR) Modulators von Tice, Colin M, Noto, Paul B, Fan, Kristi Yi, Zhuang, Linghang, Lala, Deepak S, Singh, Suresh B

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Conformational control in structure-based drug design von Zheng, Yajun, Tice, Colin M., Singh, Suresh B.

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Structure-Based Design of β‑Site APP Cleaving Enzyme 1 (BACE1) Inhibitors for the Treatment of Alzheimer’s Disease von Yuan, Jing, Venkatraman, Shankar, Zheng, Yajun, McKeever, Brian M, Dillard, Lawrence W, Singh, Suresh B

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Crystal Structure of Human Phosphodiesterase 3B:  Atomic Basis for Substrate and Inhibitor Specificity von Scapin, Giovanna, Patel, Sangita B, Chung, Christine, Varnerin, Jeffrey P, Edmondson, Scott D, Mastracchio, Anthony, Parmee, Emma R, Singh, Suresh B, Becker, Joseph W, Van der Ploeg, Lex H. T, Tota, Michael R

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Toxoplasma gondii Cyclic GMP-Dependent Kinase: Chemotherapeutic Targeting of an Essential Parasite Protein Kinase von Donald, Robert G K, Allocco, John, Singh, Suresh B, Nare, Bakela, Salowe, Scott P, Wiltsie, Judyann, Liberator, Paul A

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Discovery of Potent Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 Using a Novel Growth-Based Protocol of in Silico Screening and Optimization in CONTOUR von Liu, Zhijie, Singh, Suresh B, Zheng, Yajun, Lindblom, Peter, Tice, Colin, Dong, Chengguo, Zhuang, Linghang, Zhao, Yi, Kruk, Barbara A, Lala, Deepak, Claremon, David A, McGeehan, Gerard M, Gregg, Richard D, Cain, Robert

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Optimization of orally bioavailable alkyl amine renin inhibitors von Xu, Zhenrong, Cacatian, Salvacion, Yuan, Jing, Simpson, Robert D., Jia, Lanqi, Zhao, Wei, Tice, Colin M., Flaherty, Patrick T., Guo, Joan, Ishchenko, Alexey, Singh, Suresh B., Wu, Zhongren, McKeever, Brian M., Scott, Boyd B., Bukhtiyarov, Yuri, Berbaum, Jennifer, Mason, Jennifer, Panemangalore, Reshma, Cappiello, Maria Grazia, Bentley, Ross, Doe, Christopher P., Harrison, Richard K., McGeehan, Gerard M., Dillard, Lawrence W., Baldwin, John J., Claremon, David A.

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Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists von Lotesta, Stephen D., Marcus, Andrew P., Zheng, Yajun, Leftheris, Katerina, Noto, Paul B., Meng, Shi, Kandpal, Geeta, Chen, Guozhou, Zhou, Jing, McKeever, Brian, Bukhtiyarov, Yuri, Zhao, Yi, Lala, Deepak S., Singh, Suresh B., McGeehan, Gerard M.

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Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) β Agonist von Zheng, Yajun, Zhuang, Linghang, Fan, Kristi Yi, Tice, Colin M, Zhao, Wei, Dong, Chengguo, Lotesta, Stephen D, Leftheris, Katerina, Lindblom, Peter R, Liu, Zhijie, Shimada, Jun, Noto, Paul B, Meng, Shi, Hardy, Andrew, Howard, Lamont, Krosky, Paula, Guo, Joan, Lipinski, Kerri, Kandpal, Geeta, Bukhtiyarov, Yuri, Zhao, Yi, Lala, Deepak, Van Orden, Rebecca, Zhou, Jing, Chen, Guozhou, Wu, Zhongren, McKeever, Brian M, McGeehan, Gerard M, Gregg, Richard E, Claremon, David A, Singh, Suresh B

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Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11β hydroxysteroid dehydrogenase type 1 inhibitor von Zhuang, Linghang, Tice, Colin M., Xu, Zhenrong, Zhao, Wei, Cacatian, Salvacion, Ye, Yuan-Jie, Singh, Suresh B., Lindblom, Peter, McKeever, Brian M., Krosky, Paula M., Zhao, Yi, Lala, Deepak, Kruk, Barbara A., Meng, Shi, Howard, Lamont, Johnson, Judith A., Bukhtiyarov, Yuri, Panemangalore, Reshma, Guo, Joan, Guo, Rong, Himmelsbach, Frank, Hamilton, Bradford, Schuler-Metz, Annette, Schauerte, Heike, Gregg, Richard, McGeehan, Gerard M., Leftheris, Katerina, Claremon, David A.

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Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core von Tice, Colin M., Noto, Paul B., Fan, Kristi Yi, Zhao, Wei, Lotesta, Stephen D., Dong, Chengguo, Marcus, Andrew P., Zheng, Ya-Jun, Chen, Guozhou, Wu, Zhongren, Van Orden, Rebecca, Zhou, Jing, Bukhtiyarov, Yuri, Zhao, Yi, Lipinski, Kerri, Howard, Lamont, Guo, Joan, Kandpal, Geeta, Meng, Shi, Hardy, Andrew, Krosky, Paula, Gregg, Richard E., Leftheris, Katerina, McKeever, Brian M., Singh, Suresh B., Lala, Deepak, McGeehan, Gerard M., Zhuang, Linghang, Claremon, David A.

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Structure-Based Design and Synthesis of 1,3-Oxazinan-2-one Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1 von Xu, Zhenrong, Tice, Colin M, Zhao, Wei, Cacatian, Salvacion, Ye, Yuan-Jie, Singh, Suresh B, Lindblom, Peter, McKeever, Brian M, Krosky, Paula M, Kruk, Barbara A, Berbaum, Jennifer, Harrison, Richard K, Johnson, Judith A, Bukhtiyarov, Yuri, Panemangalore, Reshma, Scott, Boyd B, Zhao, Yi, Bruno, Joseph G, Togias, Jennifer, Guo, Joan, Guo, Rong, Carroll, Patrick J, McGeehan, Gerard M, Zhuang, Linghang, He, Wei, Claremon, David A

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Structure and Stereochemistry of Rediocide A, A Highly Modified Daphnane from Trigonostemon reidioides Exhibiting Potent Insecticidal Activity von Jayasuriya, Hiranthi, Zink, Deborah L, Singh, Suresh B, Borris, Robert P, Nanakorn, Weerachai, Beck, Hans T, Balick, Michael J, Goetz, Michael A, Slayton, Lyndia, Gregory, Lynn, Zakson-Aiken, Michelle, Shoop, Wesley, Singh, Sheo B

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A Model for Predicting Likely Sites of CYP3A4-mediated Metabolism on Drug-like Molecules von Singh, Suresh B, Shen, Lucy Q, Walker, Matthew J, Sheridan, Robert P

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Structure-Based Design Technology Contour and Its Application to the Design of Renin Inhibitors von Ishchenko, Alexey, Liu, Zhijie, Lindblom, Peter, Wu, Guosheng, Jim, Kam-Chuen, Gregg, Richard D, Claremon, David A, Singh, Suresh B

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An electronic environment and contact direction sensitive scoring function for predicting affinities of protein–ligand complexes in Contour von Lindblom, Peter R., Wu, Guosheng, Liu, Zhijie, Jim, Kam-Chuen, Baldwin, John J., Gregg, Richard E., Claremon, David A., Singh, Suresh B.

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Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors von Chen, Meng-Hsin, Fitzgerald, Patricia, Singh, Suresh B., O’Neill, Edward A., Schwartz, Cheryl D., Thompson, Chris M., O’Keefe, Stephen J., Zaller, Dennis M., Doherty, James B.

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Hematopoietic Progenitor Kinase 1 Associates Physically and Functionally with the Adaptor Proteins B Cell Linker Protein and SLP-76 in Lymphocytes von Sauer, K, Liou, J, Singh, S B, Yablonski, D, Weiss, A, Perlmutter, R M

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Spirocyclic ureas: Orally bioavailable 11β-HSD1 inhibitors identified by computer-aided drug design von Tice, Colin M., Zhao, Wei, Xu, Zhenrong, Cacatian, Salvacion T., Simpson, Robert D., Ye, Yuan-Jie, Singh, Suresh B., McKeever, Brian M., Lindblom, Peter, Guo, Joan, Krosky, Paula M., Kruk, Barbara A., Berbaum, Jennifer, Harrison, Richard K., Johnson, Judith J., Bukhtiyarov, Yuri, Panemangalore, Reshma, Scott, Boyd B., Zhao, Yi, Bruno, Joseph G., Zhuang, Linghang, McGeehan, Gerard M., He, Wei, Claremon, David A.

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