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刘俊军

领域:生物产业 学校:华中科技大学职称:教授

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教育背景

1998 - 2002年,华中师范大学化学学院,理学学士

2002 - 2009年,华中师范大学化学学院,硕博连读

工作经历

2006 - 2009年,美国肯塔基大学药学院,联合培养,2009年回华中师范大学答辩获得博士学位 2009 - 2010年,美国肯塔基大学药学院,博士后研究员 2011 -至今,华中科技大学同济医学院药学院,副教授,博士生导师

项目课题经历

1. “SVPE溶剂化方法的发展”,华中科技大学自主创新研究基金国际科技合作项目,2013ZZGH026,2013.7-2014.12

2. “基于结构和反应机理的具有较高有机磷水解活性的人体丁酰胆碱酯酶突变酶的合理化设计”,国家自然科学基金,NSFC21102050, 2012.1 – 2014.12

3. “基于结构和反应机理的药物设计方法及其应用”,湖北省自然科学基金,2011CDB374,2011.6-2012.12

4. “丁酰胆碱酯酶水解有机磷化合物的催化反应机理”,华中科技大学自主创新研究基金, 2011.6 – 2012.12

5. “计算药物设计平台的建设和相关理论的发展及应用”,华中科技大学人才引进基金,2011.2 – 2014.6

6. “人才培养的新模式――药学前沿领域课程的整合研究”,华中科技大学教学研究项目,2011.6 – 2013.6

论文、成果、著作等



1. Liu, J.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Cocaine Hydrolase-Catalyzed Hydrolysis of (−)-Cocaine. J. Chem. Theory Comput. 2012,8(4), 1426–1435.

2. Yao, Y.;Liu, J.(co-first authors); Zhan, C.-G., Why Does the G117H Mutation Considerably Improve the Activity of Human Butyrylcholinesterase against Sarin? Insights from Quantum Mechanical/Molecular Mechanical Free Energy Calculations. Biochemistry 2012, 51 (44), 8980-8992

3. Liu, J.; Zhao, X.; Yang, W.; Zhan, C.-G., Reaction Mechanism for Cocaine Esterase-Catalyzed Hydrolyses of (+)- and (+)-Cocaine: Unexpected Common Rate-Determining Step. J. Phys. Chem. B2011, 115 (17), 5017–5025.

4. Liu, J.; Kelly, C. P.; Goren, A. C.; Marenich, A. V.; Cramer, C. J.; Truhlar, D. G.; Zhan, C.-G., Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell. J. Chem. Theory Comput. 2010, 6 (4), 1109-1117.

5. Wei, D.; Huang, X.;Liu, J.; Tang, M.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Papain-Catalyzed Hydrolysis of N-Acetyl-Phe-Gly 4-Nitroanilide. Biochemistry 2012, 52 (30), 5145-5154.

6. Xiong, Y.;Liu, J. (co-first authors); Yang, G. F.; Zhan, C.-G., Computational determination of fundamental pathway and activation barriers for acetohydroxyacid synthase-catalyzed condensation reactions of alpha-keto acids. J. Comput. Chem. 2010, 31 (8), 1592-602.

7. Liu, J.; Hamza, A.; Zhan, C.-G., Fundamental reaction mechanism and free energy profile for (-)-cocaine hydrolysis catalyzed by cocaine esterase. J. Am. Chem. Soc. 2009, 131 (33), 11964-75.

8. Liu, J.; Zhang, Y.; Zhan, C.-G., Reaction pathway and free-energy barrier for reactivation of dimethylphosphoryl-inhibited human acetylcholinesterase. J. Phys. Chem. B 2009, 113 (50), 16226-36.

9. Chen, X.; Fang, L.;Liu, J.; Zhan, C.-G., Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Acetylcholine. J. Phys. Chem. B 2010, 115 (5), 1315-1322.

10.Xue, L.; Ko, M. C.; Tong, M.; Yang, W.; Hou, S.; Fang, L.;Liu, J.; Zheng, F.; Woods, J. H.; Tai, H. H.; Zhan, C. G., Design, preparation, and characterization of high-activity mutants of human butyrylcholinesterase specific for detoxification of cocaine. Mol. Pharmacol. 2011, 79 (2), 290-7.

11.Zheng, F.; Yang, W. C.; Xue, L.; Hou, S. R.;Liu, J.; Zhan, C. G., Design of High-Activity Mutants of Human Butyrylcholinesterase against (-)-Cocaine: Structural and Energetic Factors Affecting the Catalytic Efficiency. Biochemistry 2010, 49 (42), 9113-9119.

12.Hamza, A.; Tong, M.; AbdulHameed, M. D.;Liu, J.; Goren, A. C.; Tai, H. H.; Zhan, C.-G., Understanding microscopic binding of human microsomal prostaglandin E synthase-1 (mPGES-1) trimer with substrate PGH2 and cofactor GSH: insights from computational alanine scanning and site-directed mutagenesis. J. Phys. Chem. B 2010, 114 (16), 5605-16.

13.Zheng, F.; Yang, W. C.; Ko, M. C.;Liu, J.; Cho, H.; Gao, D. Q.; Tong, M.; Tai, H. H.; Woods, J. H.; Zhan, C.-G., Most efficient cocaine hydrolase designed by virtual screening of transition states. J. Am. Chem. Soc. 2008, 130 (36), 12148-12155.

14.AbdulHameed, M. D. M.; Hamza, A.;Liu, J.; Zhan, C.-G., Combined 3D-QSAR Modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1. J. Chem. Inf. Model. 2008, 48 (9), 1760-1772.

15.AbdulHameed, M. D. M.; Hamza, A.;Liu, J.; Huang, X. Q.; Zhan, C.-G., Human microsomal prostaglandin E synthase-1 (mPGES-1) binding with inhibitors and the quantitative structure-activity correlation. J. Chem. Inf. Model. 2008, 48 (1), 179-185.

16.Bargagna-Mohan, P.; Hamza, A.; Kim, Y. E.; Ho, Y. K. A.; Mor-Valknin, N.; Wendschlag, N.;Liu, J.; Evans, R. M.; Markovitz, D. M.; Zhan, C.-G.; Kim, K. B.; Mohan, R., The tumor inhibitor and antiangiogenic agent withaferin A targets the intermediate filament protein vimentin. Chem. Biol. 2007, 14 (6), 623-634.

17.Zhou, J.; Yuan, G.;Liu, J.; Zhan, C.-G., Formation and stability of G-quadruplexes self-assembled from guanine-rich strands. Chem. Eur. J. 2007, 13 (3), 945-949.

18.Zhang, Q. Y.; Wan, J.; Xu, X.; Yang, G. F.; Ren, Y. L.;Liu, J.; Wang, H.; Guo, Y., Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening. J. Comb. Chem. 2007, 9 (1), 131-138.



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