Publications

Underlined authors are Pharmaron team members

On-DNA Morita-Baylis-Hillman Reaction: Accessing Targeted Covalent Inhibitor Motifs in DNA-Encoded Libraries, Xue, L.; Liu, W.; Li, S.; Duchemin, N.; Lou, M.; Yuan, J.; Zhang, H.; Chen, J.; Yu, W.; Yang, K.; Hu, Y.J. Bioconjugate Chem., 2023. (Link)

Development of On-DNA Cyclic Imide Synthesis for DNA Encoded Library Construction, Xue, L.; Zhou, S.; Wu, J.; Duchemin, N.; Chen, B.; Zhang, J.; Zhang, H.; Yang, K.; Hu, Y.J. ChemBioChem, 2023. (Link)

Development of On-DNA Thiophene Synthesis for DEL Construction, Luo, A.; Duchemin, N.; Wang, X.; Zhou, H.; Zeng, F.; Zhao, X.; Yu, W.; Yang, K.; Hu, Y.J. Chemistry: An Asian Journal. 2023. (Link)

Constructive On-DNA Thiol Aerial Oxidization for DNA-Encoded Library Synthesis, Xue, L.; Ma, H.; Liu, W.; Duchemin, N.; Zeng, F.; Zhang, J.; Yang, K.; Hu, Y.J. ACS Omega. 2023, 9, 26, 24072-24077. (Link)

Development of the Inverse Sonogashira Reaction for DEL Synthesis, Luo, A.; Zhou, H.; Hua, Q.; An, Y.; Ma, H.; Zhao, X.; Yang, K.; Hu, Y.J., ACS Med. Chem. Lett. 2023, 14, 3, 270-277. (Link)

Constructive On-DNA Abramov Reaction and Pudovik Reaction for DEL Synthesis, Sun, Z.; Xiao, L.; Chen, Y.; Wang, J.; Zeng, F.; Zhang, H.; Zhang, J.; Yang, K.; Hu, Y.J. ACS Med. Chem. Lett. 2023, 14, 4, 473-478. 

Regioselective Synthesis of Fully Substituted Fused Pyrroles through an Oxidant-Free Multicomponent Reaction, Afratis, K.; Bateman, J.M.; Rahemtulla, B.F.; Hughes, O; Milgram, B.C.; Mulhern, T.A.; Talbot, E.P. Org. Lett., 2023, 25(3), 461-465.

Kinugasa Reaction for DNA-Encoded β‑Lactam Library Synthesis, Ayun, L.; Zhang, Z.; Zeng, F.; Wang, X.; Zhao, X.; Yang, K.; Hu, Y.J., Org. Lett., 2022, 24, 32, 5756-5761. (Link)

On-DNA Alkyne Iodination and Acetylenic Coupling as a USeful Tool for DEL Synthesis, Ayun, L.; Zhou, H.; Zhou, Q.; Hua, Q.; Zhao, X.; Yu, X.; Yang, K.; Hu, Y.J., Bioconjugate Chem., 2022, 33, 12, 2299-2306. (Link)

DNA Compatible Oxidization and Amidation of Terminal Alkynes, Sun, Z.; Zhang, J.; Zhang, H.; Cao, H.; Xiao, L.l Yang, K.; Hu, Y.K., Bioconjucage Chem. 2022, 33, 9 1585. (Link)

N-Alkyl Linkers for DNA-Encoded Chemical Libraries, Sun, Z.M.; Yang, S.G.; Xue, L.J.; Zhang, J; Yang, K; Hu, Y.J. Chemistry–An Asian Journal, 2022. (Link)

Cytochrome P450 Inhibition Assay Using Human Liver Microsomes, Jia, J. In Cytochrome P450, Humana, 2021, 91-105. (Link)

Assessing Cytochrome P450 Time-Dependent Inhibition (IC50 Shift Assay) Using Both Diluted and Non-Diluted Methods, Wang, Y; Xie, L; Ni, J. Cytochrome P450, Humana, 2021, 121-139. (Link)

Diastereoselective Synthesis of Morpholine Derivatives from Grignard Reagents and N-Sulfinyl Imines, Bateman, J.M.; Chan, D; Moroglu, M; Rahemtulla, B.F.; Talbot, E.P., Synlett AAM, 2021, 32(12), 1236-1240. (Link)

Covalent small molecules as enabling platforms for drug dscovery, Dalton, S.E.; Campos, S. ChemBioChem, 2020, 21(8), 1080-1100.

DNA-Encoded library chemistry: Amplification of chemical reaction diversity for the exploration of chemical space, Huang, Y; Savych, O; Moroz, Y; Chen, Y; Goodnow, R, Aldrichimica Acta, 2019, Vol. 52, No. 3.

Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling, Zak, M; Hanan E; Lupardus, P; Brown, D; Robinson, C; Siu, M; Lyssikatos, J; Romero, F.A.; Zhao, G; Kellar, T; Mendonca, R; Ray, N; Goodacre, S; Crackett, P; McLean, N; Hurley, C; Yuen, P; Cheng, Y; Liu, X; Liimatta, M; Kohli, P.B.; Nonomiya, J; Salmon, G; Buckley, G; Lloyd, J; Gibbons, P; Ghilardi, N; Kenny, J; Johnson, A. Bioorg Med Chem Lett, 2019, 29, 1522-1531.

Synthesis of Polyfunctionalized 2-Piperidinones Catalyzed by Fe(acac)3, Talbot, E. P. A. Synlett, 2019, 30, 821-836.

Enantioselective synthesis of GNE-6688, a potent and selective inhibitor of interleukin-2 inducible T-cell kinase (ITK), Moore, J; Lau K; Xu, X; Zhang, Y; Burch, J. Tetrahedron Lett, 2019, 60, 785–788.

Methyl-containing pharmaceuticals: Methylation in drug design, Sun, S; Fu, J. Bioorg Med Chem Lett, 2018, 28, 3283-3289.

Quantitative biodistribution of biotherapeutics at whole body, organ and cellular levels by autoradiography, Wang, M; Zhan. Y; O’Neil, S; Harris, S; Henson, C; McEwen, A; Webster, R; O’Hara, D. Bioanalysis, 2018, 10(18), 1487–1500.

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.

Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase, Nicole Blaquiere, N; Castanedo, G; Burch, J; Berezhkovskiy L; Brightbill, H; Brown S; Chan, C; Chiang, P; Crawford, J; Dong, T; Fan, P; Feng, J; Ghilardi, N; Godemann, R; Gogol, E; Grabbe, A; Hole, A; Hu, B; Hymowitz, S; Ismaili, MHA; Le, H; Lee, P; Lee, W; Lin, X; Liu, N; McEwan, P; McKenzie B; Silvestre, H; Suto, E; Sujatha-Bhaskar S; Wu, G; Wu, L; Zhang, Y; Zhong,Z;  Staben, S.  J Med Chem, 2018, 61 (15), 6801. 

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. Bioorg Med Chem Lett, 2018.

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 Letters, 2017, 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, D. Drug Metabolism and Disposition, 2017, 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, 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.

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 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.