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Structure-guided design of novel, potent, and selective macrocyclic plasma kallikrein inhibitors, Li, Z; Partridge, J; Silva-Garcia, A; Rademacher, P; Betz, A; Xu, Q; Sham, H; Hu, Y; Shan, Y; Liu, B; Zhang, Y; Shi, H; Xu, Q; Ma, X; Zhang, L. ACS Med Chem Letters, 2017, 8, 185–190.
Discovery of Pyrazolo[1,5‐a]pyrimidine B‐Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. McCoull, W; Abrams, R; Anderson, E; Blades, K; Barton, P; Box, M; Burgess, J; Byth, K; Cao, Q; Chuaqui, C; Carbajo, R; Cheung, T; Code, E; Ferguson, A; Fillery, S; Fuller, N; Gangl, E; Gao, N; Grist, M; Hargreaves, D; Howard, M; Hu, J; Kemmitt, P; Nelson, J; O’Connell, N; Prince, D.B; Raubo, P; Rawlins, P; Robb, G; Shi, J; Waring, M; Whittaker, D; Wylot, M; Zhu, X. J Med Chem, 2017, 60, 4386-4402.
Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. Ward, R; Bethel, P; Cook, C; Davies, E; Debreczeni, J; Fairley, G; Feron, L; Flemington, V; Graham, M; Greenwood, R; Griffin, N; Hanson, L; Hopcroft, P; Howard, T; Hudson, J; James, M; Jones, C; Jones, C; Lamont, S; Lewis, R; Lindsay, N; Roberts, K; Simpson, I; St-Gallay, S; Swallow, S; Tang, J; Tonge, M; Wang, Z; Zhai, B. J Med Chem, 2017, 60, 3438-3450.
Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl‐1 Inhibitors. Johannes, J; Bates, S; Beigie, C; Belmonte, M; Breen, J; Cao, S; Centrella, P; Clark, M; Cuozzo, J; Dumelin, C; Ferguson, A; Habeshian, S; Hargreaves, D; Joubran, C; Kazmirski, S; Keefe, A; Lamb, M; Lan, H; Li, Y; Ma, H; Mlynarski, S; Packer, M; Rawlins, P; Robbins, D; Shen, H; ; Sigel, E; Soutter, H; Su, N; Troast, D; Wang, H; Wickson, K; Wu, C; Zhang, Y; Zhao, Q; Zheng, X; Hird, A. ACS Med Chem Lett, 2017, 8, 239-244.
Goodnow, R. A., Jr., Dumelin, C. E., Keefe, A. D. “DNA-encoded Chemistry: Enabling the deeper sampling of chemical space” Nature Reviews Drug Discovery 2017, 16, 131-147.
Preparation of 2-Azabicyclo[2.1.1]hexane Hydrochloride. Liao H, Li A, Chen X,Liang K,Shen Y,Liang Q, Xu K, Shore D, Villemure E, Siu M, Huestis M, Synlett, 2016, 27, A-C.
c. Zak M; Yuen P, Liu, X; Patel, S; Sampath, D; Oeh, J; Liederer, M; Wang, W; O’Brien, T; Xiao, Y; Skelton, N; Hua, R; Sodhi, J; Wang, Y; Zhang, L; Zhao, G; Zheng, X; Ho, Y; Bair, K; Dragovich, P. J Med Chem, 2016, 59, 8345-8368.
Discovery of 6-(Fluoro-18F)-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine ([18F]-MK-6240): A Positron Emission Tomography (PET) Imaging Agent for Quantification of Neurofibrillary Tangles (NFTs). Walji, A. M; Hostetler, E. D; Selnick, H; Zeng, Z; Miller, P; Bennacef, I; Salinas, C; Connolly, B; Gantert, L; Holahan, M; O’Malley, S; Purcell, M; Riffel, K; Li, J; Balsells, J; Obrien, J. A; Melquist, S; Soriano, A; Zhang, X; Ogawa, A; Xu, S; Joshi, E; Della Rocca, J; Hess, F. J; Schachter, J; Hesk, D; Schenk, D; Struyk, A; Babaoglu, K; Lohith, T. G; Wang, Y; Yang, K; Fu, J; Evelhoch, J. L; Coleman, P, J.
J Med Chem, 2016, 59, 4778-4789.
Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design. Volgraf, M; Sellers, B; Jiang Y; Wu, G; Ly, C; Villemure, E; Pastor, R; Yuen, P; Lu, A; Luo, X; Liu, M; Zhang, S; Sun, L; Fu, Y; Lupardus, P; Wallweber, H; Liederer, B; Deshmukh, G; Plise, E; Tay, S; Reynen, P; Herrington, J; Gustafson, A; Liu, Y; Dirksen, A; Dietz, M; Liu, Y; Wang, T-M; Hanson, J; Hackos, D; Scearce-Levie, K; Schwarz, J; J Med Chem, 2016, 59, 2760-2779.
Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR. Olsson, R; Xue, Y; von Berg, S; Aagaard, A; McPheat, J; Hansson, E; Bernstrçm, J; Hansson, P; Jirholt, J; Grindebacke, H; Leffler, A; Chen, R; Xiong, Y; Ge, H; Hansson, T; Narjes, F. ChemMedChem, 2016, 11, 207-216.
Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second Generation Analogs with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. Burch, J; Barrett, K; Chen, Y; DeVoss, J; Eigenbrot, C; Goldsmith, R; Ismaili, M.H; Lau, K; Lin, Z; Ortwine, D; Zarrin, A; McEwan, P; Barker, J; Ellebrandt, C; Kordt, D; Stein, D; Wang, X, Chen, Y; Hu, B; Xu, X; Yuen, P; Zhang, Y, Pei, Z. J Med Chem, 2015, 58, 3806-3816.
Synthesis of [2H6]ceftazidime as a stable isotopically labeled internal standard, Bian, L; Bushby, N. J. Label Compd. Radiopharm. 2015, 58, 313-316.
GPR103 Antagonists Demonstrating Anorexigenic Activity in Vivo: Design and Development of Pyrrolo[2,3‐c]pyridines That Mimic the C‐Terminal Arg-Phe Motif of QRFP26. Georgsson, J; Bergström, F; Nordqvist, A; Watson, M; Blundell, C; Johansson, M; Petersson, A; Yiqun Zhou, Y; , Kristensson, L; Kakol-Palm, D; Tyrchan, C; Wellner, E; Bauer, U; Brodin, P; Svensson Henriksson, A. J Med Chem, 2014, 57, 5935-5948.
Property- and Structure-Guided Discovery of a Tetrahydroindazole Series of Interleukin-2 Inducible T-cell Kinase Inhibitors. Burch, J; Lau, K; Barker, J; Brookfield, F; Chen, Y; Chen Y; Eigenbrot, C; Ellebrandt, C; Ismaili, M.H; Johnson, A; Kordt, D; MacKinnon, C; McEwan, P; Ortwine, D; Stein D; Wang, X; Winkler, D; Yuen, P; Zhang, Y; Zarin, A; Pei, Z. J Med Chem, 2014, 57, 5714-5427.
Syntheses of nucleosides with a 1′,2′-β-lactam moiety as potential inhibitors of hepatitis C virus NS5B polymerase. Dang, Q; Zhang, Z; Bai, Y; Sun, S; Yin, J; Chen, T; Bogen, S; Girijavallabhan, V; Olsen, D. B; Meinke, P. T. 2014, Tetrahedron Lett, 55, 5576-5579.
Syntheses of 1′,2′-cyclopentyl nucleosides as potential antiviral agents. Dang, Q; Zhang, Z; Chen, T; Tang, B; He, X; He, S; Song, Y; Bogen, S; Girijavallabhan, V; Olsen, D. B; Meinke, P. T. Tetrahedron Lett, 2014, 55, 5092-5095.
Syntheses of nucleosides with 2′-spirolactam and 2′- spiropyrrolidine moieties as potential inhibitors of hepatitis C virus NS5B polymerase. Dang, Q; Zhang, Z; Tang, B; Song, Y; Wu, L; Chen, T; Bogen, S; Girijavallabhan, V; Olsen, D. B; Meinke, P. T. Tetrahedron Lett, 2014, 55, 3813-3816.
Syntheses of 4′-spirocyclic phosphono-nucleosides as potential inhibitors of hepatitis C virus NS5B polymerase Dang, Q; Zhang, Z; He, S; Liu, Y; Chen, T; Bogen, S; Girijavallabhan, V; Olsen, D. B; Meinke, P. T. Tetrahedron Lett, 2014, 55, 4407-4409.
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors. Zheng, X; Bauer, P; Baumeister, T; Buckmelter, A; Caligiuri, M; Clodfelter, K; Han, B; Ho, Y.C; Kley, N; Lin, J; Reynolds, D; Sharma, G; Smith, C; Wang, Z; Dragovich, P; Gunzner-Toste, J; Liederer, B; Ly, J; O’Brien, T; Oh, A; Wang, L; Wang, W; Xiao, Y; Zak, M; Zhao, G; Yuen, P; Bair, K. J. Med. Chem., 2013, 56, 6413-6433.