基本信息
罗成  男  博导  中国科学院上海药物研究所
电子邮件: cluo@mail.shcnc.ac.cn
通信地址: 上海市祖冲之路555号药物发现与设计中心
邮政编码: 201203

研究领域

   

招生信息

   
招生专业
100720-药物设计学
071023-计算生物学
070321-化学生物学
招生方向
药物设计学
计算生物学
结构生物学

教育背景

2005-09--2008-03 宾夕法尼亚大学Wistar研究所 博士后研究(计算生物学,结构生物学)
2001-09--2004-07 中国科学院上海药物研究所 有机化学博士学位
1998-09--2001-09 复旦大学化学系 物理化学(含化学物理)硕士学位
1990-09--1994-07 福州大学化学系 理学学士学位
学历
-- 研究生
学位
-- 博士

教授课程

   

专利与奖励

   
奖励信息
   
专利成果
(1) Benzopyranone derivatives and their use as anti_viral agents,发明,2006,第5作者,专利号:200606408-3
(2) 新型胺基吡啶类化合物、其制备方法、包含此类化合物的药物组合物及其用途,发明,2011,第3作者,专利号:201110079133.9
(3) 3-烷氧取代-2,5,7-三取代苯并吡喃-4-酮类化合物及其制备方法和包含该类化合物的药物组合物,发明,2005,第5作者,专利号:200510132956

出版信息

   
发表论文
(1) The Inter-domain Linker of eIF4AI Regulates ATP Hydrolysis Coupled Duplex Unwinding,The Inter-domain Linker of eIF4AI Regulates ATP Hydrolysis Coupled Duplex Unwinding,Nucleic Acids Res,2015,通讯作者
(2) Selective and irreversible inhibition of pyruvate dehydrogenase kinases by covalently targeting a cysteine residue. ,Selective and irreversible inhibition of pyruvate dehydrogenase kinases by covalently targeting a cysteine residue. ,Cancer Research,2015,通讯作者
(3) Discovery and optimization of novel, selective histone methyltransferase SET7 inhibitors by pharmacophore- and docking-based virtual screening,Discovery and optimization of novel, selective histone methyltransferase SET7 inhibitors by pharmacophore- and docking-based virtual screening,J Med Chem,2015,通讯作者
(4) A Systematic Study of Colitis-associated Colon Cancer: from Network Modeling to Drug Combinations.,A Systematic Study of Colitis-associated Colon Cancer: from Network Modeling to Drug Combinations.,Sci Rep,2015,通讯作者
(5) Structural Insight into Substrate Preference for TET-mediated Oxidation,Structural Insight into Substrate Preference for TET-mediated Oxidation,Nature,2015,通讯作者
(6) Quantum Chemistry Calculation-Guided Structural Optimization of Combretastatin A-4-like Tubulin Polymerization Inhibitors: Improved Stability and Biological Activity,Quantum Chemistry Calculation-Guided Structural Optimization of Combretastatin A-4-like Tubulin Polymerization Inhibitors: Improved Stability and Biological Activity,J Med Chem,2015,通讯作者
(7) Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5. ,Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5. ,Nucleic Acid Res,2015,通讯作者
(8) Functional Interplay Between the RK motif and Linker Segment Dictates Oct4-DNA Recognition,Functional Interplay Between the RK motif and Linker Segment Dictates Oct4-DNA Recognition,Nucleic Acids Res,2015,通讯作者
(9) Inhibition of human copper trafficking significantly attenuates tumor growth.,Inhibition of human copper trafficking significantly attenuates tumor growth.,Nature Chem,2015,第1作者
(10) Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening.,Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening.,J Med Chem,2014,通讯作者
(11) Astemizole Arrests the Proliferation of Cancer Cells by Disrupting the EZH2-EED Interaction of Polycomb Repressive Complex 2,Astemizole Arrests the Proliferation of Cancer Cells by Disrupting the EZH2-EED Interaction of Polycomb Repressive Complex 2,J Med Chem,2014,通讯作者
(12) Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase.,Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase.,PNAS,2014,通讯作者
(13) Molecular Dynamic Simulation-driven Design of Protease-responsive Probe for in vivo Tumor Imaging.,Molecular Dynamic Simulation-driven Design of Protease-responsive Probe for in vivo Tumor Imaging.,Adv Mater,2014,通讯作者
(14) Targeting Epigenetics in Nervous System Disease,CNS Neurological Disorders-Drug Targets,2013,通讯作者
(15) A Quantum Mechanics/Molecular Mechanics Study on the Hydrolysis Mechanism of New Delhi Metallo-β-lactamase-1,Journal of Computer Aided Molecular Design,2013,通讯作者
(16) Structure-based computational study of the hydrolysis of New Delhi metallo-β-lactmase-1,Biochemical and Biophysical Research Communications,2013,通讯作者
(17) Investigation of the acetylation mechanism by GCN5 Histone Acetyltransferase,PLoS ONE,2012,通讯作者
(18) Conformational Transition and Energy Landscape of ErbB4 Activated by Neuregulin1β: One-microsecond Molecular Dynamics Simulation,Journal of American Chemistry Society,2012,第5作者
(19) Discovering potent inhibitors against c-Met kinase: molecular design, organic synthesis and bioassay,Organic Biomolecular Chemistry,2012,通讯作者
(20) Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides,RSC Advanced,2012,通讯作者
(21) Application of Epigenome-Modifying Small Molecules in Induced Pluripotent Stem Cells,Medicinal Research Review,2012,通讯作者
(22) Extensive mutagenesis of the conserved box E motif in duck hepatitis B virus P protein reveals multiple functions in replication and a common structure with the primer grip in HIV-1 reverse transcriptase,Journal of Virology,2012,第2作者
(23) SOMEViz: A Web Service for Site of Metabolism Estimating and Visualizing,Protein and Peptide Letters,2012,第4作者
(24) Computational Drug Discovery,Acta Pharmacol Sin,2012,第4作者
(25) Discovery of novel 2-aminopyridine-3-carboxamides as c-Met kinase inhibitors ,Bioorganic Medicinal Chemistry,2012,通讯作者
(26) Development of a novel class of B-RafV600E -selective inhibitors through integrated ligand- and structure-based virtual screening,Organic Biomolecular Chemistry,2012,通讯作者
(27) Development of Cell-Active N(6)-Methyladenosine RNA Demethylase FTO Inhibitor,Journal of American Chemical Society,2012,通讯作者
(28) Pharmacophore-Based Virtual Screening and Biological Evaluation of Small Molecule Inhibitors for Protein Arginine Methylation,Journal of Medicinal Chemistry,2012,通讯作者
(29) Fluevirosines A-C: A Biogenesis Inspired Example in the Discovery of New Bioactive Scaffolds from Flueggea virosa,Organic Letters,2012,第5作者
(30) Molecular basis of NDM-1, a new antibiotic resistance determinant,PLoS ONE,2011,通讯作者
(31) Theoretical study of the mechanism of proton transfer in the esterase EstB from Burkholderia gladioli,Journal of Physical Chemistry B,2011,通讯作者
(32) Structural Switchings Of Staphylococcus Aureus ClpP: A Key To Understanding Protease Mechanism,Journal of Biological Chemistry,2011,通讯作者
(33) Identification of Pentacyclic Triterpenes Derivatives as Potent Inhibitors against Glycogen Phosphorylase based on 3D QSAR studies,European Journal Medicinal Chemistry,2011,通讯作者
(34) Identification of N`-(2-oxoindolin-3-ylidene) hydrazide derivatives as c-Met Kinase Inhibitors,Bioorganic Medicinal Chemistry Letter,2011,通讯作者
(35) Catalytic Mechanism Investigation of Lysine-Specific Demethylase 1 (LSD1): A computational study,PLoS ONE,2011,通讯作者
(36) Discovery and SAR of thiazolidine-2,4-dione analogues as insulin-like growth factor-1 receptor (IGF-1R) inhibitors via hierarchical virtual screening,Journal of Medicinal Chemistry,2010,第3作者
(37) How Does Influenza A Virus Escape From Amantadine,Journal of Physical Chemistry B,2010,第5作者
(38) Discovery of specific inhibitors against EBNA1 via high throughput in silico virtual screening,PLoS ONE,2010,通讯作者
(39) Development of drugs for Epstein-Barr virus using highthroughput in silico screening,Expert Opinion on Drug Discovery,2010,通讯作者
(40) Identification of novel 5-hydroxy-1H-indole-3-carboxylates with anti-HBV activities based on 3D QSAR studies,Journal of Molecular Modeling,2010,通讯作者
(41) Chemical and biochemical approaches in the study of histone methylation and demethylation,Medicinal Research Review,2010,第1作者
(42) 鞘氨磷酸脂调控机制的研究进展,中国科学基金,2010,通讯作者
(43) The Investigation on the Catalytic Mechanism of Sir2 Enzyme with QM/MM Approach: SN1 vs SN2,Journal of Physical Chemistry B,2010,通讯作者
(44) Advance In the Study of Mechanisms regulatd by Sphingosine-1-Phosphate,Bulletin of National Natural Science Foundation of China,2010,通讯作者
(45) Why Tamiflu and Zanamivir works on Influenza A (H1N1),Cell Research,2009,第1作者
(46) In silico screening of BRAF inhibitors,Journal of Medicinal Chemistry,2008,第1作者
(47) Structure of Vps75: Implications for Histone Chaperone Function,Proceedings of the National Academy of Sciences,2008,第4作者
(48) Structural Basis for Dimerization in DNA Recognition by Gal4,Structure,2008,第4作者
(49) Structural Basis for Catalytic and Inhibitory Mechanisms of beta-Hydroxyacyl-acyl Carrier Protein Dehydratase (FabZ),Journal of Biological Chemistry,2008,第5作者
(50) Mutational analysis revealed that conservation of hepatitis B virus reverse transcriptase residue 306 (rtP306) is crucial for encapsidation of pregenomic RNA,FEBS Letters,2007,第3作者
(51) Molecular insight into the interaction between IFABP and PA by using MM-PBSA and alanine scanning methods,Journal of Physical Chemistry B,2007,第2作者
(52) A Putative New Domain Target for Anti-Hepatitis B Virus: Residues Flanking epatitis B Virus Reverse Transcriptase Residue 306 (rtP306) ,Journal of Medical Virology,2007,第3作者
(53) High-resolution structure of the p53 core domain: implications for binding small-molecule stabilizing compounds,Acta Crystallographica Section D,2006,第2作者
(54) Structural insights into the effect of isonucleosides on B-DNA duplexes using molecular-dynamics simulations,Journal of Molecular Modeling,2006,第4作者
(55) Binding interaction of quereetin-3-beta-galactoside and its synthetic derivatives with SARS-CoV 3CL(pro): Structure-activity relationship studies reveal salient pharmacophore features,Bioorganic Medicinal Chemistry,2006,第3作者
(56) b-Hydroxyacyl-acyl carrier protein dehydratase (FabZ) from Helicobacter pylori: molecular cloning, stability characterization and structural modeling,Biochemical and Biophysical Research Communications,2005,第2作者
(57) Computational Analysis of Molecular Basis of 1:1 Interactions of NRG-1b Wild-Type and Variants with ErbB3 and ErbB4,Proteins,2005,第1作者
(58) Nucleocapsid protein of SARS coronavirus tightly binds to human Cyclophilin A,Biochemical and Biophysical Research Communications,2004,第1作者
(59) Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor,Bioorganic Medicinal Chemistry,2004,第4作者
(60) Synthesis and evaluation of tacrine–E2020 hybrids as acetylcholinesterase inhibitors for the treatment of Alzheimer’s disease,Bioorganic Medicinal Chemistry Letters,2004,第3作者
(61) Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR,Bioorganic Medicinal Chemistry,2004,第4作者
(62) Identification of probable genomic packaging signal sequence from SARS-CoV genome by bioinformatics analysis,Acta Pharmacol Sin,2003,第3作者
(63) Putative hAPN receptor binding sites in SARS_CoV spike protein,Acta Pharmacol Sin ,2003,第2作者
(64) A 3D model of SARS_CoV 3CL proteinase and its inhibitors design by virtual screening,Acta Pharmacol Sin,2003,第4作者
(65) Adsorption of sulfur on NimB2 clusters: a theoretical investigation on the mechanism of strong sulfur resistance of Ni-B alloy catalyst,Journal of Molecular Catalysis A: Chemical,2002,第1作者
(66) Theoretical Study on the Local Structure and Properties of Electron Transfer of Ni-B Amorphous Alloy,Acta Chimica Sinica,2000,第1作者
发表著作
   

科研活动

   
科研项目
(1) 针对重要疾病的新化学实体发现与优化,主持,国家级,2012-01--2016-12
(2) 针对 S1P 代谢通路和NF-kB 通路的网络节点的动力学行为、靶标发现和非可控炎症转化机制研究,主持,国家级,2011-01--2013-12
(3) 针对调控干细胞相关关键酶的药物发现与作用机制研究,主持,国家级,2011-01--2015-12
(4) 军队特需药品发现技术平台(子课题),主持,国家级,2011-01--2015-12
(5) 基于桑叶活性成分为物质基础的a-糖苷酶抑制剂优化研究(子课题),主持,省级,2011-01--2013-12
(6) 针对嘌呤生物合成的抗金黄色葡萄球药物设计研究,主持,其他级,2010-04--2012-03
(7) 抗肿瘤药物先导化合物的优化研究,主持,国家级,2010-01--2012-12
参与会议
(1) 金黄色葡萄球菌ClpP蛋白酶的功能调控研究,福建—香港高校理论化学研讨会,2011-04,罗成

合作情况

   
项目协作单位
   

指导学生

已指导学生

张芮菡  硕士研究生  100720-药物设计学  

周然  硕士研究生  078020-药物设计学  

现指导学生

王晨  硕士研究生  0780Z1-药物设计学  

李晓娜  博士研究生  100706-药理学  

徐盼  硕士研究生  0780Z1-药物设计学  

胡骏驰  博士研究生  1007Z1-药物设计学  

工作经历

   
工作简历
2012-10--今 上海药物研究所 研究员
2008-09--2012-09 中国科学院上海药物研究所 副研究员
2008-03--2008-09 中国科学院上海药物研究所 助理研究员
2004-07--2005-08 中国科学院上海药物研究所 助理研究员
1994-11--1998-04 福州市抗生素集团有限公司 助理工程师
社会兼职