近五年代表性学术论文、专著 |
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Wang Xia, Li Ruirui, Cui Wenchao, Li Qiang, Yao Jianzhuang*, QM/MM free energy Simulations of an efficient Gluten Hydrolase (Kuma030) Implicate for a Reactant-State Based Protein-Design Strategy for General Acid/Base Catalysis, Scientific Reports, 8(1): 7042, 2018 9. Wang Xia, Li Yajing, Chen Xiabin, Zhou Ziyuan,Yao Jianzhuang*, Human Acetyl-CoA Carboxylase 1 Is an Isomerase: Carboxyl Transfer Is Activated by Catalytic Effect of Isomerization, The Journal of Physical Chemistry B, 123(31): 6757-6764, 2019 10. 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Yao Jianzhuang, Guo Hong, Yang Xiaohan, PPCM: Combing Multiple Classifiers to Improve Protein-Protein Interaction Prediction, International Journal of Genomics, 2015:7, 2015 15.Yao Jianzhuang, Luo Haixia, Wang Xia, Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations, Journal of Chemical Information and Modeling, 57(5): 1179-1186, 2017 16.Yao Jianzhuang, Wang Xia, Luo Haixia, Gu Pengfei, Understanding the Catalytic Mechanism and the Nature of the Transition State of an Attractive Drug-Target Enzyme (Shikimate Kinase) by Quantum Mechanical/Molecular Mechanical (QM/MM) Studies, Chemistry–A European Journal, 23(64): 16380–16387, 2017 17.Yao Jianzhuang, Yuan Yaxia, Zheng Fang, Zhan Chang-Guo, Unexpected Reaction Pathway for butyrylcholinesterase-catalyzed inactivation of “hunger hormone” ghrelin, Scientific Reports, 6: 22322, 2016 18.Zhu Kongkai*, Shao Jingwei, Tao Hongrui, Yan Xue, Luo Cheng, Zhang Hua*, Duan, Wenhu*, Rational Design, synthesis and biological evaluation of novel triazole derivatives as potent and selective PRMT5 inhibitors with antitumor activity, Journal of Computer-aided Molecular Design, doi: 10.1007/s10822-019-00214-y. [Epub ahead of print], 2019 19.Zhu Kongkai, Tao Hongrui, Song Jiali, Jin Lu, Zhang Yuanyuan, Liu Jingqiu, Chen Zhifeng, Jiang Chengshi*, Luo Cheng*, Zhang Hua*, Identification of 5-benzylidene-2-phenylthiazolones as potent PRMT5 inhibitors by virtual screening, structural optimization and biological evaluations, Bioorganic Chemistry, 81: 289-298, 2018 20.Zhu Kongkai, Jiang Chengshi, Tao Hongrui, Liu Jingqiu, Zhang Hua*, Luo Cheng*, Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations, Bioorganic & Medicinal Chemistry Letters, 28(9): 1476-1483, 2018 21.Zhu Kongkai, Song Jiali, Tao Hongrui, Cheng Zhiqiang, Jiang Chengshi*, Zhang Hua*, Discovery of new potent protein arginine methyltransferase 5 (PRMT5) inhibitors by assembly of key pharmacophores from known inhibitors, Bioorganic & Medicinal Chemistry Letters, 28(23-24): 3693-3699, 2018 22.Zhu Kongkai, Jiang Chengshi, Hu Junchi, Liu Xigong, Yan Xue, Tao Hongrui, Luo Cheng*, Zhang Hua*, Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods, Biochemical and Biophysical Research Communications, 495(1): 721-727, 2018 23. Wang Chen, Xu Pan, Zhang Luyu, Huang Jing,Zhu Kongkai*, Luo Cheng*, Current Strategies and Applications for Precision Drug Design, Frontiers Pharmacology, 9:787, 2018 24. Yuan Changchun*, Zhong Shangyong, Li Xingyi, Wang Yanhong, Xun Maomao, Bai Yunli,Zhu Kongkai*, Total synthesis, structural revision and biological evaluation of gamma-elemene-type sesquiterpenes, Organic Biomolecular Chemistry, 16 (42): 7843-7850, 2018 25. Tao Hongrui, Yan Xue,Zhu Kongkai*, Zhang Hua*, Discovery of Novel PRMT5 Inhibitors by Virtual Screening and Biological Evaluations, Chem Pharm Bull (Tokyo), 67(4): 382-388, 2019 26. Jiang Chengshi, Ge Yongxi, Cheng Zhiqiang, Song Jiali, Wang Yinyin,Zhu Kongkai*, Zhang Hua*, Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation, Journal of Computer-aided Molecular Design, 33(5): 521-530, 2019 27. Jiang Chengshi*, Ge Yongxi, Cheng Zhiqiang, Wang Yinyin, Tao Hongrui,Zhu Kongkai*, Zhang Hua*, Discovery of New Selective Butyrylcholinesterase (BChE) Inhibitors with Anti-Aβ Aggregation Activity: Structure-Based Virtual Screening, Hit Optimization and Biological Evaluation, Molecules, 24(14), 2019 28. Cheng Zhiqiang,Zhu Kongkai (co-first), Zhang Juan, Song Jiali, Muehlmann Luis Alexandre, Jiang Chengshi*, Liu Changliang*, Zhang Hua*, Molecular-docking-guided design and synthesis of new IAA-tacrine hybrids as multifunctional AChE/BChE inhibitors, Bioorganic Chemistry, 83: 277-288, 2018 29. Mao Ruifeng, Shao Jingwei,Zhu Kongkai (co-first), Zhang Yuanyuan, Ding Hong, Zhang Chenhua, Shi Zhe, Jiang Hualiang, Sun Dequn*, Duan Wenhu*, Luo Cheng*, Potent, Selective, and Cell Active Protein Arginine Methyltransferase 5 (PRMT5) Inhibitor Developed by Structure-Based Virtual Screening and Hit Optimization, Journal of Medicinal Chemistry, 60(14): 6289-6304, 2017 30. Shao Jingwei,Zhu Kongkai (co-first),Du Daohai, Zhang Yuanyuan, Tao Hongrui, Chen Zhifeng, Jiang Hualiang, Chen Kaixian, Luo Cheng*, Duan Wenhu*, Discovery of 2-substituted-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide as potent and selective protein arginine methyltransferases 5 inhibitors: Design, synthesis and biological evaluation, European Journal of Medicinal Chemistry, 164: 317-333, 2019 |
