Pharmaron Publications

Underlined authors are Pharmaron team members:

Methyl-containing pharmaceuticals: Methylation in drug design, Sun, S; Fu, J. Bioorganic & Medicinal Chemistry Letters, 2018, 28, 3283-3289.

Aminoisoxazoles as potent inhibitors of tryptophan 2,3-Dioxygenase 2 (TDO2), Pei, Z; Mendonca, R; Gazzard L;  Pastor, R; Goon, L; Gustafson, A; VanderPorten, E; Hatzivassiliou, G; Dement, K; Cass, R; Yuen, P; Zhang, Y; Wu, G; Lin, X; Liu, Y; Sellers, B. ACS Med. Chem. Lett, 2018, 9, 5, 417-421.

Discovery of a potent (4R,5S)-4-fluoro-5-methylproline sulfonamide transient receptor potential ankyrin 1 antagonist and its methylene phosphate prodrug guided by molecular modeling, Chen,H; Volgraf, M; Do, S; Kolesnikov, A; Shore, D; Verma, V; Villemure, E; Wang, L; Chen, Y; Hu, B; Lu, A; Wu, G; Xu, X; Yuen, P; Zhang, Y; Erickson, S; Dahl, M; Brotherton-Pleiss, C; Tay, S; Ly, J; Murray, L; Chen, J; Amm, D; Lange, W; Hackos, D; Reese, R; Shields, S; Lyssikatos, J; Safina, B; Estrada, A, J Med Chem, 2018, 61(8), 3641-3659.

Development of autotaxin inhibitors: A series of zinc binding triazolesm, Thomson, C; Le Grand, D; Dowling, M; Brocklehurst, C; Chinn, C; Elphick, L; Faller, M; Freeman, M; Furminger, V; Gasser, C; Hamadi, A; Hardaker, E; Head, V; Hill, Johan; Janus, D; Pearce, D; Pouland, A-S; Stanley, E; Sviridenko, L. Bioorganic & Medicinal Chemistry Letters, 2018.

Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K), Castanedo, G*; Blaquiere, N; Beresini, M; Bravo, B; Brightbill, H; Chen, J; Cui, H, Eigenbrot, C; Everett, C; Feng, J; Godemann, R; Gogol, E; Hymowitz, S; Johnson, A; Kayagaki, N; Bir Kohli, P; Knüppel, K; Kraemer, J;  Krüger, S; Loke, P; McEwan, P; Montalbetti, C; Roberts, D; Smith, M; Steinbacher, S; Sujatha-Bhaskar, S; Takahashi, R; Wang, X; Wu, L; Zhang, Y; and Staben, S. J Med Chem, 2017, 61(15), 6801-6813.

A GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in vivo Profile,  Villemure, E; Volgraf, M; Jiang, Y; Wu G; Ly, C; Yuen, P; Lu, A; Luo, X; Liu, M; Zhang, S; Lupardus, P; Wallweber; H; Liederer, B; Deshmukh, G; Plise, E; Tay, S; Wang, T; Hanson, J; Hackos, D; Scearce-LevieK; Schwarz, J; Sellers, B. ACS Med Chem Letters2017, 8, 84-89.

An investigation into the prediction of in vivo clearance for a range of Flavin-containing monooxygenase substrates, Jones, B; Srivastava, A; Colclough, N; Wilson, J; Reddy, VP; Amberntsson, S.; Li, DDrug Metabolism and Disposition2017, 45(10), 1060-1067.

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, 20178, 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 Chem2017, 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, ZZhai, BJ Med Chem2017, 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, HLi, YMa, 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 Lett2017, 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 201716, 131-147.

Structure-based design of tricyclic NF-κB inducing kinase (NIK) inhibitors that have high selectivity over phosphoinositide-3-kinase (PI3K), Castanedo, G; Blaquiere, N; Beresini, M; Bravo, B; Brightbill, H; Chen, J; Cui, H; Eigenbrot, C; Everett, C; Feng, J; Godemann, R; Gogol, E; Hymowitz, S; Johnson, A; Kayagaki, N; Bir Kohli, P; Knüppel, K; Kraemer, J; Krüger, S; Loke, P; McEwan, P; Montalbetti, C; Roberts, D; Smith, M; Steinbacher, S; Sujatha-Bhaskar, S; Takahashi, R; Wang, X; Wu, L; Zhang, Y; Staben, S, J Med Chem, 2016, 60(2), 627-640

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 PLiu, 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 Chem201659, 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 Chem201659, 4778-4789.

Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.  Volgraf, M; Sellers, B; Jiang YWu, G; Ly, C; Villemure, E; Pastor, R; Yuen, PLu, ALuo, XLiu, MZhang, SSun, LFu, 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 Chem201659, 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, RXiong, YGe, H; Hansson, T; Narjes, F.  ChemMedChem2016, 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, BXu, XYuen, PZhang, Y, Pei, Z. J Med Chem201558, 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 Chem2014, 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, PZhang, Y; Zarin, A; Pei, Z. J Med Chem201457, 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. 2014Tetrahedron Lett55, 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 Lett201455, 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 Lett2014,  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 Lett2014,  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.201356, 6413-6433.

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