朱维良，研究员 1998年4月毕业于中国科学院上海药物队乱源配永研究所，获博士学位。现任中国科学院上海药物研究所研究员、博士生导师、课题组长。2004年3月获得"引进国外杰出人才"入选资格，2005年8月获得中国科学院"百来自人计划 "择优团李皇演资助，2006360百科年8月获上海市"浦江人才"称号。曾任扬州清严混政东鲜协普大学农学院助教、讲师，新加坡理工学院( Singapore Polytechnic )生命科学系及生命科学技术中心讲座讲立仍混收师( Visiting Lecturer 眼微上)及讲师( Le夜沿阻二院cturer )。

• 中文名称 朱维良
• 国籍 中国
• 民族 汉
• 毕业院校 中国科学院上海药物研究所
• 主要成就 博士生导师

专家类别

　　研究来自员;

社会职务

　　中科院上海药物所研究员、博士生导师、研究360百科组长、药物发现与设计中心主任

科学研究

研究方向

　　药物设计、计算生物物理化学、计算化学

研究项目

　　主持了" 863 "项目、国家科技攻关项目、国家自然科学基金、 上海市科委基础重大基金等科研项目，研究工作涉及计算生物物理化学、药物设计学和计算化学等领域。

代表论著

　　课题组成立以来共发表SCI研究论文100余篇，递交专最哥治蒸造低酸利申请34件，应邀在国内外学术大会上做报告30余次，参加编写及翻译专著5部。近5年发表的部分论文如下:

　　Jing Deng, Ning Li, Hongchuan Liu, Zhi来自li Zuo, Oi Wah Liew, Weijun Xu, Gang Chen, Xiankun Tong, Wei Tang*, Ji裂n Zhu, Jianping Zuo, Hualiang Jian360百科g, Cai-Guang Yang*, Jian Li*, Weiliang Zhu*, Discovery of Novel Small Molecule Inhibitors of Dengue Viral NS2BNS3 Protease Using Virtual Scre阶属压沉ening and Scaffold Hopping, J. Med. Chem

　　Yunxiang Lu, Yingtao Liu, Haiying Li, Xiang Zhu, Hongl国主老找创束ai Liu, and Weiliang Zh冲u, Energetic Effects between Halogen Bonds and Anion-π or Lone Pair-π Interactions: A Theoretical Stu领引于dy, The Journal of Physical Ch危志神脚孙草计纪较emistry A

　　Jinwei Wu, Peng Sun, Xiaodong Zhang, Hong Liu, Hualiang Jiang, Weiliang Zhu, Heyao Wang*. Inhibition of GPR40 protects MIN6 β-cells from palmitate-induced ER stress and apoptosis. Journal of Cellular Biochemistry

　　Di Wang, Fei Wang, Yexiong Tan, Liwei Dong, Lei Chen, Weiliang Zhu*, Hongyang Wang*, Discovery of potent small molecule inhibi效的然负tors of DYRK1A by s突附内远承响告飞回对衡tructure-b费甲ased virtual screening and bioassay, Bioorganic & Medicinal Chemistry Letters

　　Yunxiang Lu*, Haiying Li, Xiang Zhu, Honglai Liu, Weiliang Zhu, Effects of solvent on weak halogen bonds: Density functional theory calculations, International Journal of Quantum Chemistry

　　Xue-lian Zhu, Hai-yan Cai, Zhi-jian Xu, Yong Wang, He-yao Wang, Ao Zhang and Wei-liang Zhu*. Classification of 5-HT(1A) receptor agonists and antagonists using GA-SVM method. Acta Pharmacol Sin.

　　Lu Junming, Lu Yunxiang, Yang Subin, Zhu Weiliang*, Theoretical and 确风父杂器难头推粮然crystallographic data investigations of noncoval听营停均慢合ent S···O interactions, S企急断概叶胶雨搞由右黑tructural Chemistry

　　Lu Y*, Li H, Zhu X, Zhu W, Liu H. How does halogen bon措孙怀识角ding behave in sol垂要丰察肉另担格齐副负ution? A theoretical study using im三程玉亲个天员律析跳配plicit solvation model. J. Phys Chem A.

　　Zhijian Xu1, Zheng Liu1, Tong Chen1, Tiantian Chen, Zhen Wang, Guanghui Tian, Jing Shi, Xu清elan Wang, Yunxiang Lu, Xiuhua Yan, Guan Wang, Hualiang 太握抓下点北Jiang, Kaixian Chen, Shudong Wang, Yechun Xu*, Jingshan Shen*, Weilang Zhu*, Utilization of Halogen Bond in Lead Optimization: a Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors, J. Med. Chem

　　Junming Lu, Bo Zhang, Qingming Deng, Jinan Wang, Yunxiang Lu*, Weiliang Zhu*, The Nature and Magnitude of Specific Halogen Bonds between Iodo-perfluorobenzene and Heterocyclic Systems, International Journal of Quantum Chemistry

　　Jinan Wang, Huaiyu Yang, Zhili Zuo, Xiuhua Yan, Yong Wang, Xiaomin Luo, Hualiang Jiang, Kaixian Chen, Weiliang Zhu*, Molecular Dynamics Simulations on the Mechanism of Transporting Methylamine and Ammonia by Ammonium Transporter AmtB, J. Phys. Chem. B

　　Weijun Xun; Gang Chen; Weiliang Zhu*, Zhili Zuo*, Molecular docking and Structure-Activity Relationship Studies on Benzothiazole based non-peptidic BACE-1 inhibitors, Bioorganic & Medicinal Chemistry Letters

　　Xiaodong Zhang, Guirui Yan, Yiming Li, Weiliang Zhu* and Heyao Wang*, DC260126, a small-molecular antagonist of GPR40, improves insulin tolerance but not glucose tolerance in obese Zucker rats, Biomedicine & Pharmacotherapy

　　Weijun Xu, Gang Chen, Hualiang Jiang, Weiliang Zhu*, Zhili Zuo*, Identification of a sub-micromolar Nonpeptide Inhibitor of β-secretase with low neural cytotoxicity through In-silico Screening, Bioorganic & Medicinal Chemistry Letters

　　Haiyan Cai, Guirui Yan, Xiaodong Zhang, Olena Gorbenko, Heyao Wang*, Weiliang Zhu*, Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening, Bioorganic & Medicinal Chemistry Letters

　　Junming Lu, Yunxiang Lu*, Weiliang Zhu, Novel halogen bonding interactions between MH2 (M = Mg, Be) and HX (X = Cl, Br, I) molecules, Journal of Molecular Structure: THEOCHEM

　　Shao-Yong Lu, Yong-Jun Jiang*, Jing Lv, Tian-Xing Wu, Qing-Sen Yu, Wei-Liang Zhu,* Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions , Journal of Molecular Graphics and Modelling

　　Yunxiang Lu, Yong Wang and Weiliang Zhu*, Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design, Physical Chemistry Chemical Physics

　　Zhi Chen, Guanghui Tian, Zhen Wang, Hualiang Jiang, Jingshan Shen*, and Weiliang Zhu*, Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity, J. Chem. Inf. Model.

　　Nan Li, Fei Wang, Siqiang Niu, Ju Cao, Kaifeng Wu, Youqiang Li, Nanlin Yin, Xuemei Zhang, Weiliang Zhu and Yibing Yin, Discovery of novel inhibitors of Streptococcus pneumoniae based on the virtual screening with the homology-modeled structure of histidine kinase (VicK), BMC Microbiology

　　Hui Hu, Lingyan He, Zhen Gong, Ning Li, Yina Lu Qiwei Zhai, Hong Liu, Hualiang Jiang, Weiliang Zhu,* Heyao Wang*, A novel class of antagonists for the FFAs receptor GPR40, Biochem Biophys Res Commun

　　Kunqian Yu, Cheng Luo, Guangrong Qin, Zhijian Xu, Ning Li, Hong Liu, Xu Shen, Jianpeng Ma, Qinghua Wang, Caiguang Yang, Weiliang Zhu*, Hualiang Jiang*, Why are oseltamivir and zanamivir effective against the newly emerged influenza A virus

　　Yunxiang Lu, Yong Wang, Zhijian Xu, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, and Weiliang Zhu*, C−X···H Contacts in Biomolecular Systems: How They Contribute to Protein-Ligand Binding Affinity? J. Phys. Chem

　　Yunxiang Lu, Ting Shi, Yong Wang, Huaiyu Yang, Xiuhua Yan, Xiaoming Luo, Hualiang Jiang, Weiliang Zhu*, Halogen Bonding - A Novel Interaction for Rational Drug Design, J. Med. Chem

　　Zhili Zuo, Oi Wah Liew, Gang Chen, Pek Ching Jenny Chong, Siew Hui Lee, Kaixian Chen, Hualiang Jiang, Chum Mok Puah*, Weiliang Zhu*, Mechanism of NS2B-mediated activation of NS3pro in Dengue Virus: Molecular Dynamics Simulations and Bioassay Studies, J. Virology

　　Weijun Xu, Gang Chen, Oi Wah Liew, Zhili Zuo*, Hualiang Jiang, Weiliang Zhu*, Novel non-peptide b-secretase inhibitors derived from structure-based virtual screening and bioassay Bioorganic & Medicinal Chemistry Letters

　　Mingyue Zheng, Xiaomin Luo, Qiancheng Shen,Yong Wang, Yun Du, Weiliang Zhu and Hualiang Jiang, Site of Metabolism (SOM) Prediction for Six Biotransformations Mediated by Cytochromes P450, Bioinformatics

　　李波，朱维良*，陈凯先*，小檗碱及其衍生物的研究进展，药学学报

　　Lingyan He, Jiagao Cheng, Tao Wang, Caimei Li, Zhen Gong, Hong Liu*, Bu-Bing Zeng*, Hualiang Jiang, Weiliang Zhu*, Cation–p complexes formed between cyclooctatetraene and alkaline earth metals: Predicted and recorded NMR features, Chemical Physics Letters

　　Zhi-Li ZUO, Gang CHEN, Xiao-Min LUO, Chum-Mok PUAH*, Wei-Liang ZHU*, Kai-Xian CHEN, Hua-Liang JIANG. Pharmacophore-Directed Homology Modeling and MD Simulation of G-protein-Coupled Receptor: Study of Possible Binding Modes of the 5-HT2C Receptor Agonists, Acta Biochimica et Biophysica Sinica

　　Wei Fu1,3, Jianhua Shen1, Xiaomin Luo1, Weiliang Zhu1*, Jiagao Cheng1, Kunqian Yu1, James M. Briggs2, Guozhang Jin1, Kaixian Chen1 and Hualiang Jiang1,4*, Dopamine D1 Receptor Agonist and D2 Receptor Antagonist Effects of the Natural Product (-)-Stepholidine (SPD): Molecular Modeling and Dynamics Simulations, Biophysics Journal

　　Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu*, Kaixian Chen, Hualiang Jiang,. Why does β-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies, Computational Biology and Chemistry

　　Chunshan Gui, Weiliang Zhu*, Gang Chen, Xiaomin Luo, Oi Wah Liew, Chum Mok Puah, Kaixian Chen, and Hualiang Jiang*, Understanding the Regulation Mechanisms of PAF Receptor by Agonists and Antagonists: Molecular Modeling and Molecular Dynamics Simulation Studies, Proteins: Structure, Function, and Bioinformatics

　　Jiagao Cheng, Zhen Gong, Weiliang Zhu*, Yun Tang, Weihua Li, Zhong Li, Hualiang Jiang*, Cation sitting in aromatic cages: ab initio computational studies on tetramethylamonium–(benzene)n (n=3-4) complexes, JOPC

　　Huaiyu Yang, Yechun Xu, Weiliang Zhu*, Kaixian Chen and Hualiang Jiang*, Detailed Mechanism for AmtB Conducting NH4+/NH3: Molecular Dynamics Simulations, Biophysics Journal