文章出处: 作者: 发布时间: 2015-02-17 访问次数: 709


Jian Li, Ph.D.

Vice President

Domestic Discovery Service Unit

WuXi AppTec

288 FuTe Zhong Road

WaiGaoQiao Free Trade Zone

Shanghai 200131, China

Tel: +86 21 50464625

Email: jian_li@wuxiapptec.com





• 15 years first-hand industrial experience in discovery of therapeutically important agents by

enabling technologies. Contributions to two NCE’s in full development or clinical trial.

• 10 years academic experience in computational chemistry and biophysics research. More

than 60 publications in books and peer-reviewed journals.

• Strong leadership in facilitating scientific and business cooperation for pharmaceutical and

biotech industry in China and USA.


• 12/2008 – present Vice President, Domestic Discovery Service Unit

WuXi AppTec,, Shanghai, China

• 12/2001 – 12/2008 Senior Scientist

Johnson & Johnson Pharmaceutical Research & Development LLC,

Spring House, PA, USA

• 12/1998 – 12/2001 Scientist

Texas Biotechnology Corporation, Houston, TX, USA

• 8/1994- 12/1998 Senior Research Associate

Scripps Research Institute, La Jolla, CA, USA


Academic Experience

• 1/1993-7/1994 NSERC International Fellow, The University of Calgary, Canada

• 1/1992-12/1992 Postdoctoral Associate, University of Helsinki, Finland

• 1/1990-12/1991 Alexander von Humboldt Fellow, Universitat Hannover, Germany

• 7/1987-8/1989 Lecturer, Department of Chemistry, Peking University, Beijing, China



• Ph.D. in Computational Chemistry, Peking University, Beijing, China 1987

• M.Sc. in Physical Chemistry, Peking University, Beijing, China 1984

• B.Sc. in Chemistry, Peking University, Beijing, China 1982


Honors and Awards

WuXi AppTec President Award 2013

WuXi AppTec Management Excellence Award 2012

• Johnson & Johnson PRD Vision Award 2005

• NSERC International Fellowship, Natural Sciences and Engineering

Research Council of Canada (NSERC), Canada 1993

• Alexander von Humboldt Fellowship,

Alexander von Humboldt Foundation, Germany 1990

• National Prize for Young Chemist, Chinese Chemical Society, China 1987

Professional Affiliations

• American Chemical Society.

• American Association for the Advancement of Science.

Journal Reviewer

• Journal of Medicinal Chemistry

• The Journal of American Chemical Society

• Journal of Chemical Information and Computer Science

• Bioorganic and Medicinal Chemistry Letter

• Journal of Molecular Modeling

• Current Medicinal Chemistry

• Journal of Biological Chemistry

• In Silico Biology



1. R.J. Biediger, Q. Chen, G.W. Holland, J.M. Kassir, W. Li, R.V. Market, I.L. Scott, C. Wu, R.E. Decker and J. Li, Preparation of 3-(N'-oxodihydropyridinylureido)-3- phenylpropanoates as inhibitors of α4β1 integrin binding. EPXXDW EP 1203766 (2002).

2. J.K. Barbay, Y. Gong, W. He and J. Li, 5,6,7,8-Tetrahydroquinolines as C5a receptor Modulators, Patent Application Pending (2007).


Selected Publications (67 publications in peer-reviewed journals)

67. P. Ren, G. Zou, B. Bailly, S. Xu, M. Zeng, X. Chen, L. Sheng, Y. Zhang, P. Guillon, F. Arenzana-Seisdedos, P. Buchy, J. Li, M. von Itzstein, Q. Li, R. Altmeyer, The approved pediatric drug suramin identified as a clinical candidate for the treatment of EV71 infection – Suramin inhibits EV71 infection in vitro and in vivo Emerg Microbes Infect 3 (2014) e62.

66. D. D. Fang, B. Zhang, Q. Gu, M. Lira, Q. Xu, H. Sun, M. Qian, W. Sheng, M. Ozeck, Z. Wang, C. Zhang, X. Chen, K. Chen, J. Li, S.-H. Chen, J. Christensen, M. Mao, HIP1-ALK, a novel ALK fusion variant that responds to crizotinib J. Thorac Oncol. 9 (2014) 285. 2

65. Q. Cai, M. Yameen, W. Liu, Z. gao, Y. Li, X. Peng, Y. Cai, C. Wu, Q. Zheng, J. Li and T. Lin, Conformational plasticity of the 2A proteinase from enterovirus 71, J. Virol. 87 (2013) 7348.

64. C. Wu, Q. Cai, C. Chen, N. Li, X. Peng, Y. Cai, K. Yin, X. Chen, X. Wang, R. Zhang, L. Liu, S. Chen, J. Li and T. Lin, Structures of enterovirus 71 3C proteinase (strainE2004104-TW- CDC) and its complex with rupintrivir, Acta Cryst. D69 (2013) 866.

63. W. Huang, Z. Gong, J. Li and J. Ding, Crystal structure of drosophila melanogaster tryptophan 2,3-dioxygenase reveals insights into substrate recognition and catalytic mechanism, J. Struct. Biol. 181 (2013) 291.

62. J. Li and C. H. Reynolds, A quantum mechanical approach to ligand binding: Calculation  of ligand-protein binding affinities for stromelysin-1 (MMP-3) inhibitors, Can. J. Chem. ( Tom Ziegler Special Issue) 87 (2009) 1480.

61. Y. Gong, J. K. Barbay, M. Buntinx, J. Li, J. Van Wauwe, C. Claes, G. Van Lommen, P. J. Hornby and W. He, Design and optimization of aniline-substituted tetrahydroquinoline C5a receptor antagonist.  Bioorg. Med. Chem. Lett. 18 (2008) 3852.

60. J. K. Barbay, Y. Gong, M. Buntinx, J. Li, C. Claes, P. J. Hornby, G. Van Lommen, J. Van Wauwe and W. He, Synthesis and characterization of 5,6,7,8-tetrahydroquinoline C5a  receptor antagonist.  Bioorg. Med. Chem. Lett. 18 (2008) 2544.

59. D. K. Luci, S. Ghosh, C. E. Smith, J. Qi, Y. Wang, B. Haertlein, T. J. Parry, J. Li, H. R. Almond Jr., L. Minor, B. P. Damiano, W. A. Kinney, B. E. Maryanoff and E. C. Lawson, Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: Synthesis, SAR, and in vivo assessment, Bioorg. Med. Chem. Lett. 17 (2007) 6489.

58. W. Lang, G. W. Caldwell, J. Li, G. C. Leo, W. J. Jones and J. A. Masucci, Biotransformation of geldanamycin and 17-allylamino-17-demethoxygeldanamycin by human liver microsomes: Reductive versus oxidative metabolism and implications, Drug Metab. Dispost. 35 (2007) 21.

57. J. Li, R. Rajamani, B. A. Tounge, and C. H. Reynolds, Mechanistic modeling in drug discovery: MMP-3 and the HERG channels as examples. In “Modelling Molecular Structure and Reactivity in Biological Systems”, Eds. by K. J. Naidoo, J. Brady, M. Field, J. Gao and M. Hann, RSC Publishing, London, 283-288, 2006.

56. C. Y. Ho, D. W. Ludovici, U. Maharoof, J. Mei, J. Sechler, R. W. Tuman, E. D. Strobel, L. Andraka, G. Leo, J. Li, H. Almond, H. Lu, C. Burns, A. De Vine, S. Skrzat, S. Voina, R. M. Tominovich, J. Baker, D. L. Johnson and R. A. Galemmo, Jr. (6,7-Dimethoxy-2,4- dihydroindeno[1,2-c]pyrazol-3-yl)phenylamines: PDGF RTK antagonists with broad anti- proliferative activity against tumor cells. J. Med. Chem. 48 (2005) 8163.

55. Z. Yan, J. Li, N. Huebert, G. W. Caldwell, Y. Du and H. Zhong, Detection of a novel reactive metabolite of diclofenac: Evidence for CYP2C9-mediated bioactivitation via 3 arene oxides. Drug Metab. Dispost. 33 (2005) 706.

54. R. Rajamani, B. Tounge, J. Li and C. H. Reynolds. Structure-based modeling of the hERG channel: A two state linear-interaction energy model for ligand binding. Bioorg. Med. Chem. Lett. 15 (2005) 1737.

53. H.-C. Zhang, C. K. Derian, D. F. McComsey, K. B. White, H. Ye, L. R. Hecker, J. Li, M. F. Addo, D. Croll, A. J. Eckardt, C. E. Smith, Q. Li, W.-M. Cheung, B. R. Conway, S. Emanuel, K. T. Demarest, P. Andrade-Gordon, B. P. Damiano and B. E. Maryanoff. Novel indolyl-indazolylmaleimides as inhibitors of protein kinase C-β: Synthesis, biological activity, and cardiovascular safety. J. Med. Chem. 48 (2005) 1725.

52. L. V. R. Boñaga, H.-C. Zhang, A. F. Moretto, H. Ye, D. A. Gauthier, J. Li, G. C. Leo and B.E. Maryanoff. Synthesis of macrocycles via cobalt-Mediated [2 + 2 + 2] cycloadditions. J. Am. Chem. Soc. 127 (2005) 3473.

50. H. J. Breslin, T. A. Miskowski, B. M. Rafferty, S. V. Coutinho, J. M. Palmer, E. S. Kimball, S.-P. Zhang, J. Li, R. W. Colburn, D. J. Stone, R. P. Martinez, D. J. Hlasta, P. Andrade- Gordon, P. J. Hornby and W. He, Rationale, design, and synthesis of novel phenyl imidazoles as opioid agonist for GI disorders, J. Med. Chem. 47 (2004) 5009.

49. H.-C. Zhang, H. Ye, B. R. Conway, C. K. Derian, M. F. Addo, G.-H. Kuo, L. R. Hecker, D. R. Croll, J. Li, L. Westover, J. Z. Xu, R. Look, K. T. Demarest, P. Andrade-Gordon, B. P. Damiano and B. E. Maryanoff,     3-(7-azaindolyl)-4-arylmaleimides as potent, selective inhibitors of glycogen synthase kinase-3, Bioorg. Med. Chem. Lett. 14 (2004) 3245.

48. L. Noodleman , T. Lovell, W. Han, J. Li and F. Himo, Quantum chemical studies of intermediates and reaction pathways in enzymes and catalytic synthetic systems, Chem. Rev. 104 (2004) 459-508.

45. T. Lovell, J. Li, D. A. Case and L. Noodleman, Binding models for the first coupled electron and proton addition to FeMoco of nitrogenase. J. Am. Chem. Soc. 124 (2002) 4546.

44. T. You, D. S. Maxwell, T. Kogan, Q. Chen, J. Li, J. Kassir, G. W. Holland and R. A.F. Dixon, A 3D structure model of integrin α4β1 assembly I: Construction of a homology model of β1 subunit and its ligand binding analysis, Biophys. J. 82 (2002) 447.

43. T. Lovell, J. Li, T. Liu, D. A. Case and L. Noodleman ; FeMo cofactor of nitrogenase: A density functional study of states MN, MOX, MR, and MI, J. Am. Chem. Soc. 123(2001) 12392.

42. C. Wu, E. R. Decker, N. Blok, H. Bui, J. Li, A. R. Bourgoyne, V. Knowles, W. Li, F. Stavros, G. Holland, T. A. Brock and R. A. F. Dixon, Acyl substitution at ortho position of anilides enhances oral bioavailability: TBC3214, an ETA selective endothelin antagonist, J. Med. Chem. 44(2001) 1211.4

34. J. Li, M.R. Nelson, C.Y. Peng, D. Bashford, L. Noodleman, Incorporating protein environments in density functional theory: A self consistent reaction field calculation of redox potentials of [2Fe2S] clusters in ferredoxin and phthalate dioxygenase reductase, J. Phys. Chem. A102 (1998) 6311.

32. J. Li, P. Beroza, L. Noodleman and D. A. Case, Quantum mechanical modeling of active sites in metalloproteins: Electrostatic coupling to the protein/sovent environment, in “Molecular Modeling and Dynamics of Bioinorganic Systems”, L. Banci and P. Comba, Editors, Kluwer Academic Press, Dordrecht, Netherlands, 279-306, (1997).

29. P. Ghost, D. Shabat, S. Kumar, S. Sinha, J. Li, L. Noodleman and E. Keinan, Perturbing the coordination sphere of a transition metal complex with antibodies. Nature, 382 (1996) 339.

27. C. L. Fisher, J. L. Chen, J. Li, D. Bashford and L. Noodleman, Density functional and electrostatic calculations for the solvated active site of human manganese superoxide dismutase, J. Phy. Chem. 100 (1996) 13498.

25. J. Li, R. M. Dickson and T. Ziegler, Dihydride versus dihydrogen: the relativistic effects on the relative stabilities of classical and nonclassical isomers of M(PH3)4H4 (M=Fe,Ru,Os), J. Am. Chem. Soc., 117 (1995) 11482.

21. J. Li, G. Schreckenbach and T. Ziegler, A reassessment of the first metal-carbonyl dissociation energy in M(CO)4 (M = Ni,Pd,Pt), M(CO)5 (M = Fe,Ru,Os) and M(CO)6 (M = Cr,Mo,W) by a quasi-relativistic density functional method, J. Am. Chem. Soc., 117 (1995) 486.