个人简介
教育背景
2005-07--以色列魏茨曼科学研究所 博士后
2001-09--中国科学院上海药物研究所 博士
1999-09--华东师范大学化学系 硕士
1995-09--华东师范大学化学系 学士
工作简历
2009-10~现在, 中国科学院上海药物研究所,课题组长
2005-07~现在, 以色列魏茨曼科学研究所, 博士后
2004-07~现在, 中国科学院上海药物研究所, 助理研究员
2001-09~现在, 中国科学院上海药物研究所, 博士
1999-09~现在, 华东师范大学化学系, 硕士
1995-09~现在, 华东师范大学化学系, 学士
研究领域
1.研究疾病相关蛋白质的结构与功能关系
2.研究蛋白质与配体识别和相互作用的分子机制
3.开展基于结构的药物分子设计
近期论文
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Structure-based discovery of PDEs inhibitors., Curr. Top. Med. Chem., 2016, 通讯作者
Structural and thermodynamic characterization of protein−ligand interactions formed between lipoprotein-associated phospholipase A2 and inhibitors., J. Med. Chem., 2016, 通讯作者
Understanding voltage gating of providencia stuartii porins at atomic level., PLoS Comput. Biol., 2015, 通讯作者
Varied probability of staying collapsed/extended at the conformational equilibrium of monomeric A40 and A42., Sci. Rep., 2015, 通讯作者
Discovery of anilinopyrimidines as dual Inhibitors of c-Met and VEGFR-2: synthesis, SAR, and cellular activity., ACS Med. Chem. Lett., 2014, 通讯作者
Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors., J. Med. Chem., 2014, 通讯作者
Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors., Tetrahedron, 2014, 通讯作者
Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors., Eur. J. Med. Chem., 2014, 通讯作者
Novel fatty acid binding protein 4 (FABP4) inhibitors: Virtual screening, synthesis and crystal structure determination., Eur. J. Med. Chem., 2014, 通讯作者
Design, synthesis and biological evaluation of bivalent ligands against A1-D1 receptor heteromers., Acta Pharmacol. Sin., 2013, 通讯作者
Design, synthesis and biological evaluation of a series of benzo[de][1,7]naphthyridin-7(8H)-ones bearing a functionalized longer chain appendage as novel PARP1 inhibitors., J. Med. Chem., 2013, 通讯作者
Microsecond molecular dynamics simulation of Aβ42 and identification of a novel dual inhibitor of Aβ42 aggregation and BACE1 activity., Acta Pharmacol. Sin., 2013, 通讯作者
Virtual screening and structure-based discovery indole acylguanidines as potent β-secretase (BACE1) inhibitors., Molecules, 2013, 通讯作者
Discovery of pyrazole as C-terminus of selective BACE1 inhibitors., Eur. J. Med. Chem., 2013, 通讯作者
Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5., Bioorg. Med. Chem. Lett., 2013, 通讯作者
Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and MD simulations., Acta Crystallogr. D (Biol. Crystallogr.), 2012, 通讯作者
Dynamic behaviour of ubiquitin receptor S5a in free and complex with Κ48-linked diubiquitin., Mol. Simulat., 2012, 通讯作者
Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: synthesis and SAR study as tyrosine kinase c-Met inhibitors., Bioorg. Med. Chem. Lett., 2012, 通讯作者
Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5., J. Med. Chem., 2012, 通讯作者
Cyanobacterial peptides as a prototype for the design of potent β-secretase inhibitors and the development of selective chemical probes for other aspartic proteases., J. Med. Chem., 2012, 通讯作者