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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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Design, synthesis and biological evaluation of betulinic acid derivatives as potential inhibitors of 3CL-protease of SARS-CoV-2, STEROIDS, 2024, 第 7 作者 Structure-based development of potent and selective type-II kinase inhibitors of RIPK1, ACTA PHARMACEUTICA SINICA B, 2024, 第 13 作者 Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 第 8 作者 Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers, CELL RESEARCH, 2023, 第 8 作者 Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2, Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2, SIGNAL TRANSDUCTION AND TARGETED THERAPY, 2023, 第 20 作者 Ginkgolic acids inhibit SARS-CoV-2 and its variants by blocking the spike protein/ACE2 interplay, INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2023, 第 11 作者 Spatiotemporal and global profiling of DNA-protein interactions enables discovery of low-affinity transcription factors, Nature Chemistry, 2023, 第 9 作者 Structure-based design of potent peptidomimetic inhibitors covalently targeting SARS-CoV-2 papain-like protease, International Journal of Molecular Sciences, 2023, 第 9 作者 通讯作者 Preventive and therapeutic benefits of nelfinavir in rhesus macaques and human beings infected with SARS-CoV-2, SIGNAL TRANSDUCTION AND TARGETED THERAPY, 2023, 第 20 作者 Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines, BIOCHEMICAL PHARMACOLOGY, 2023, 第 8 作者 Design, synthesis and biological evaluation of covalent peptidomimetic 3CL protease inhibitors containing nitrile moiety, Bioorganic & Medicinal Chemistry, 2023, 第 8 作者 Discovery, synthesis and mechanism study of 2,3,5-substituted 1,2,4-thiadiazoles as covalent inhibitors targeting 3C-Like protease of SARS-CoV-2, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 第 13 作者 Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19, Proceedings of the National Academy of Sciences of the United States of America, 2023, 第 27 作者 Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational approaches, Chemical Science, 2023, 第 6 作者 通讯作者 High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors, High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors, PROTEIN & CELL, 2023, 第 25 作者 Discovery of Polyphenolic Natural Products as SARS-CoV-2 Mpro Inhibitors for COVID-19, PHARMACEUTICALS, 2023, 第 7 作者 通讯作者 Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2023, 第 9 作者 通讯作者 Efficacy and safety of SIM0417 (SSD8432) plus ritonavir for COVID-19 treatment: a randomised, double-blind, placebo-controlled, phase 1b trial, THE LANCET REGIONAL HEALTH: WESTERN PACIFIC, 2023, 第 7 作者 Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir, NATURE COMMUNICATIONS, 2023, 第 22 作者 通讯作者 Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022, 第 8 作者 Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease, BIOORGANIC CHEMISTRY, 2022, 第 8 作者 通讯作者 A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors, A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors, ACTA PHARMACOLOGICA SINICA, 2022, 第 9 作者 Discovery of 10H-Benzobpyrido2,3-e1,4oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase, Journal of Medicinal Chemistry, 2022, 第 9 作者 通讯作者 Identification of Cysteine 270 as a Novel Site for Allosteric Modulators of SARS-CoV-2 Papain-Like Protease, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022, 第 8 作者 通讯作者 Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2, JOURNAL OF MEDICINAL CHEMISTRY, 2022, 第 16 作者 通讯作者 Bispecific prodrug nanoparticles circumventing multiple immune resistance mechanisms for promoting cancer immunotherapy, Bispecific prodrug nanoparticles circumventing multiple immune resistance mechanisms for promoting cancer immunotherapy, ACTA PHARMACEUTICA SINICA B, 2022, 第 7 作者 In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2, ANTIVIRAL RESEARCH, 2022, 第 9 作者 In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2022, 第 6 作者 通讯作者 Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination, JOURNAL OF MEDICINAL CHEMISTRY, 2022, 第 19 作者 通讯作者 Efficient discovery of potential inhibitors for SARS-CoV-2 3C-like protease from herbal extracts using a native MS-based affinity-selection method, JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2022, 第 7 作者 通讯作者 Cocktail polysaccharides isolated from Ecklonia kurome against the SARS-CoV-2 infection, CARBOHYDRATE POLYMERS, 2022, 第 14 作者 通讯作者 A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors, ACTA PHARMACOLOGICA SINICA, 2021, 第 9 作者 Design and development of an oral remdesivir derivative W116 against SARS-CoV-2, Design and development of an oral remdesivir derivative W116 against SARS-CoV-2, 细胞研究:英文版, 2021, 第 9 作者 Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 第 8 作者 Drug discovery and development targeting the life cycle of SARS-CoV-2, Drug discovery and development targeting the life cycle of SARS-CoV-2, 自然科学基础研究:英文版, 2021, 第 2 作者 Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease, NATURE COMMUNICATIONS, 2021, 第 19 作者 通讯作者 Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment, EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 第 13 作者 通讯作者 Design and development of an oral remdesivir derivative VV116 against SARS-CoV-2, CELL RESEARCH, 2021, 第 9 作者 抗新冠肺炎药物研究进展, Recent Progress in Drug Development against COVID-19, 中国生物工程杂志, 2021, 第 1 作者 Drug discovery and development targeting the life cycle of SARS-CoV-2, FUNDAMENTAL RESEARCH, 2021, 第 2 作者 通讯作者 Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation, BIOORGANIC CHEMISTRY, 2021, 第 6 作者 通讯作者 Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate, JOURNAL OF MEDICINAL CHEMISTRY, 2021, 第 14 作者 USP28 and USP25 are downregulated by Vismodegib in vitro and in colorectal cancer cell lines, FEBS JOURNAL, 2021, 第 9 作者 Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5, NATURE COMMUNICATIONS, 2021, 第 10 作者 通讯作者 Identification of phosphodiesterase-4 as the therapeutic target of arctigenin in alleviating psoriatic skin inflammation, JOURNAL OF ADVANCED RESEARCH, 2021, 第 11 作者 通讯作者 What coronavirus 3C-like protease tells us: From structure, substrate selectivity, to inhibitor design, MEDICINAL RESEARCH REVIEWS, 2021, 第 6 作者 通讯作者 Species differences in the CYP3A-catalyzed metabolism of TPN729,a novel PDE5 inhibitor, Species differences in the CYP3A-catalyzed metabolism of TPN729, a novel PDE5 inhibitor, ACTA PHARMACOLOGICA SINICA, 2021, 第 5 作者 Allosteric Regulation of Hsp90�����s Activity by Small Molecules Targeting the Middle Domain of the Chaperone, ISCIENCE, 2020, 第 12 作者 Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach, JOURNAL OF MEDICINAL CHEMISTRY, 2020, 第 13 作者 通讯作者 Anti-inflammatory signaling through G protein-coupled receptors, Anti-inflammatory signaling through G protein-coupled receptors, ACTA PHARMACOLOGICA SINICA, 2020, 第 3 作者 Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone, ISCIENCE, 2020, 第 12 作者 通讯作者 Structural basis of ligand binding modes at the human formyl peptide receptor 2, NATURE COMMUNICATIONS, 2020, 第 11 作者 通讯作者 Natural product piperine alleviates experimental allergic encephalomyelitis in mice by targeting dihydroorotate dehydrogenase, BIOCHEMICAL PHARMACOLOGY, 2020, 第 10 作者 DC591017, a phosphodiesterase-4 (PDE4) inhibitor with robust anti-inflammation through regulating PKA-CREB signaling, BIOCHEMICAL PHARMACOLOGY, 2020, 第 10 作者 Potential treatment of COVID-19 by inhibitors of human dihydroorotate dehydrogenase, Potential treatment of COVID-19 by inhibitors of human dihydroorotatedehydrogenase, PROTEIN & CELL, 2020, 第 1 作者 Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation, JOURNAL OF MEDICINAL CHEMISTRY, 2020, 第 10 作者 通讯作者 Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients, Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients, ACTA PHARMACOLOGICA SINICA, 2020, 第 24 作者 通讯作者 Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir, SCIENCE, 2020, 第 19 作者 通讯作者 Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease, Science, 2020, 第 25 作者 通讯作者 In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing, JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 第 6 作者 通讯作者 Structure of M-pro from SARS-CoV-2 and discovery of its inhibitors, NATURE, 2020, 第 3 作者 Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity, JOURNAL OF NATURAL PRODUCTS, 2020, 第 6 作者 通讯作者 Exogenous FABP4 interferes with differentiation, promotes lipolysis and inflammation in adipocytes, ENDOCRINE, 2020, 第 5 作者 USP28 and USP25 are downregulated by Vismodegib in vitro and in colorectal cancer cell lines, FEBS JOURNAL, 2020, 第 9 作者

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