王任小 照片

王任小

教授 博导

所属大学: 中国科学院上海有机化学研究所

所属学院: 生命有机化学国家重点实验室

邮箱:
wangrx@fudan.edu.cn

个人主页:
http://www.sioc-ccbg.ac.cn/

个人简介

教育背景及工作经历 2020年1月至今:复旦大学药学院,教授 2005年8月至今:中国科学院上海有机化学研究所,“百人计划”研究员,课题组长,博士生导师 2001年9月至2005年7月:美国密西根大学(University of Michigan),Research Investigator 2000年9月至2001年8月:美国乔治敦大学(Georgetown University),博士后 1999年9月至2000年8月:美国加州大学洛杉矶分校(University of California Los Angeles),博士后 1994年9月至1999年8月:北京大学化学学院物理化学研究所,理学博士,导师:唐有祺院士 1989年9月至1994年8月:北京大学化学学院,理学学士,导师:来鲁华教授

研究领域

以分子模拟为手段研究生物大分子的结构和功能以及有机小分子与生物大分子的相互作用;研究和发展分子靶向药物设计中的关键理论和方法 选择与重大疾病过程相关的生物大分子为靶标,综合运用分子模拟、化学合成以及生物学实验,发展可以有效调控生物靶标活性的有机小分子化合物

近期论文

Su M.Y.; Yang Q.F.; Du Y.; Feng G.Q.; Liu Z.H.; Li Y.; Wang R.X. *, "Comparative Assessment of Scoring Functions: The CASF-2016 Update.", J. Chem. Inf. Model., 2018, in press. DOI:10.1021/acs.jcim.8b00545. Yan Li, Minyi Su, Zhihai Liu, Jie Li, Jie Liu, Li Han, Renxiao Wang *, "Assessing Protein-Ligand Interaction Scoring Functions with the CASF-2013 Benchmark", Nature Protocols, 2018, Vol. 3(4): pp 666-680. Li Han, Qifan Yang, Zhihai Liu, Yan Li & Renxiao Wang *, "Development of a new benchmark for assessing the scoring functions applicable to protein–protein interactions", Future Medicinal Chemistry, 2018, Vol. 10(13) DOI: 10.4155/fmc-2017-0261 Suqing Zheng, Shaofang Xu, Guitao Wang, Qing Tang, Xiaonan Jiang, Zhanting Li, Yong Xu, Renxiao Wang * and Fu Lin* , "Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength", J. Chem. Inf. Model., 2017, 57 (7), pp 1535-1547. DOI: 10.1021/acs.jcim.7b00022 Yu Jiang, Fenghui Qian, Junjie Yang, Yingmiao Liu, Feng Dong, Chongmao Xu, Bingbing Sun, Biao Chen, Xiaoshu Xu, Yan Li, Renxiao Wang, Sheng Yang*, "CRISPR-Cpf1 assisted genome editing of Corynebacterium glutamicum", Nature Communications, 2017, 8: 15179. doi:10.1038/ncomms15179 Liu, Zhihai; Su, Minyi; Han, Li; Liu, Jie; Yang, Qifan; Li, Yan; Wang, Renxiao *, "Forging the Basis for Developing Protein–Ligand Interaction Scoring Functions", Accounts of Chemical Research, 2017, 50 (2): pp 302-309. Liu, Jie; Su, Minyi; Liu, Zhihai; Li, Jie; Li, Yan; Wang, Renxiao *, "Enhance the Performance of Current Scoring Functions with the Aid of 3D Protein-Ligand Interaction Fingerprints", BMC Bioinformatics., 2017, 18:343. Yan Li, Zhixiong Zhao, Zhihai Liu and Renxiao Wang *, "AutoT&T v2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization", J. Chem. Inf. Model., 2016, 56(2), pp: 435-453. Mi Zhou, Qing Li and Renxiao Wang *, "Current Experimental Methods for Characterizing Protein–Protein Interactions", ChemMedChem, 2016, 11(8), pp: 738-756. Li, Y.-F.; Yu, B.; Wang, R.-X. *, "Efficient synthesis of rottlerin and its two subunits", Tetrahedron Lett., 2016, 57, 1856-1859. Xu, M.; Liu, C.; Zhou, M.; Li, Q.; Wang, R. X.*; Kang, J. W.*, "Screening of Small-Molecule Inhibitors of Protein–Protein Interaction with Capillary Electrophoresis Frontal Analysis", Anal. Chem., 2016, 88(16), 8050-8057. Chen, S.-G.; Zhao, Z.-X.; Jiang, X. N.; Wang, L.; Zhou, T.-Y.; Lu, C.; Zhao, X.;* Jiang, X.-K.; Ma, Y.-G.; Wang, R.-X.;* Li, Z.-T.*, "Temperature-Responsive Chiral (A)6B Supramolecular Cages Based on Conformational Preferences", Chem. Asian J., 2016, 11(4), 465-469. Xu, X.-S.; Chen, J.; Wang, Q.-Z.; Duan, C. L.; Li, Y.; Wang, R.-X.; Yang, S., "Mutagenesis of Key Residues in the Binding Center of l-Aspartate-b-Semialdehyde Dehydrogenase from Escherichia coli Enhances Utilization of the Cofactor NAD(H)", ChemBioChem, 2016, 17(1), 56-64. Chen, W.-Q.; Li, Y.; Li, J.; Wu, L.; Li, Y.; Wang, R.-X.; Deng, Z.-X.; Zhou, J.-H., "An unusual UMP C-5 methylase in nucleoside antibiotic polyoxin biosynthesis", Protein & Cell, 2016, 7(9), 673-683. Li, S.; Shen, Q.-C.; Su, M.-Y.; Liu, X.-Y.; Lu, S.-Y.; Chen, Z.-J.; Wang, R.-X.; Zhang, J., "Alloscore: a method for predicting allosteric ligand-protein interactions", Bioinformatics, 2016, 32(10), 1574-1576. Wang, X.-F.; Zhang, C.; Yan, X.-M.; Lan, B.; Wang, J.-Y.; Wei, C.-Y.; Cao, X.-X.; Wang, R.-X.; Zhou, T.; Zhou, M.; Liu, Q.-L.; Jiang, B.; Jiang, P.-F.; Kesari, S.; Lin, X.-J.; Guo, F., "A Novel Bioavailable BH3 Mimetic Efficiently Inhibits Colon Cancer via Cascade Effects of Mitochondria", Clinical Cancer Res., 2016, 22(6), 1445-1458. Qing Li, Mi Zhou, Renxiao Wang*, "Small-Molecule Regulators of Autophagy as Potential Anti-cancer Therapy", Book chapter in Targeting Autophagy in Cancer Therapy, 2016, pp. 39-58. ISBN 978-3-319-42738-6, Springer. ed. Prof. Jin-Ming Yang. Zhihai Liu, Yan Li, Li Han, Jie Li, Jie Liu, Zhixiong Zhao, Wei Nie, Yuchen Liu and Renxiao Wang *, "PDB-wide Collection of Binding Data: Current Status of the PDBbind Database ", Bioinformatics, 2015, 31 (3): 405-412. Jie Liu and Renxiao Wang *, "Classification of Current Scoring Functions", J. Chem. Inf. Model. 2015, 55, 475-482. Yang-Feng Li, Biao Yu, Jian-Song Sun, Renxiao Wang *, "Efficient synthesis of baicalin and its analogs", Tetrahedron Letters. 2015, 56 (24), 3816-3819. Zhihai Liu, Jie Li, Jie Liu, Yuchen Liu, Wei Nie, Han Li, Yan Li and Renxiao Wang *, "Cross-Mapping of Protein-Ligand Binding Data between ChEMBL and PDBbind", Molecular Informatics, 2015, 34 (8): 568-576. Zhihai Liu, Jie Li, Li Han, Yan Li, Jie Liu, Wei Nie, Yuchen Liu and Renxiao Wang *, "Open access databases in the field of drug discovery ", Scientia Sinica Chimica, 2015, Vol. 45 (8): 765-776. Zhihai Liu, Jie Li, Li Han, Yan Li * and Renxiao Wang *, "Construction of Evaluation System for Drug-Target Scoring Functions", Scientia Sinica Chimica, 2015, 45(9): 949-960. Dr. Chengwen Yang, Sha Chen, Mi Zhou, Dr. Yan Li, Yangfeng Li, Zhengxi Zhang, Dr. Zhen Liu, Dr. Qian Ba, Dr. Jingquan Li, Prof. Hui Wang, Prof. Xiaomei Yang,*, Prof. Dawei Ma,* and Prof. Renxiao Wang *, "Development of 3-Phenyl-N-(2-(3-phenylureido)ethyl)-thiophene-2-sulfonamide Compounds as Inhibitors of Antiapoptotic Bcl-2 Family Proteins ", ChemMedChem, 2014, 9 (7), pp 1436-1452. Li, Yan; Liu, Zhihai; Li, Jie; Han, Li; Liu, Jie; Zhao, Zhi-Xiong; Wang, Renxiao *, "Comparative Assessment of Scoring Functions on an Updated Benchmark: I. Compilation of the Test Set", J. Chem. Inf. Model.. 2014, 54 (6), pp 1700-1716. Li, Yan; Han, Li; Liu, Zhihai; Wang, Renxiao *, "Comparative Assessment of Scoring Functions on an Updated Benchmark: II. Evaluation Methods and General Results", J. Chem. Inf. Model.2014, 54 (6), pp 1717-1736. Li-Ping Bai, Jie Liu, Li Han, Hing-Man Ho, Wang, Renxiao and Zhi-Hong Jiang *, "Mass spectrometric studies on effects of counter ions of TMPyP4 on binding to human telomeric DNA and RNA G-quadruplexes", Anal Bioanal Chem.2014, 406(22): 5455-5463. Yan Li, Zhihai Liu, Li Han, Chengke Li, Renxiao Wang *, "Mining the Characteristic Interaction Patterns on Protein–Protein Binding Interfaces", J. Chem. Inf. Model., 2013, Vol. 53 (9), pp 2437-2447. Xiao Ding, Yan Li, Li Lv, Mi Zhou, Li Han, Zhengxi Zhang, Qian Ba, Jingquan Li, Hui Wang, Hong Liu, Renxiao Wang *, "De Novo Design, Synthesis and Evaluation of Benzylpiperazine Derivatives as Highly Selective Binders of Mcl-1", ChemMedChem. 2013, Vol. 8, pp. 1986-2014. Renxiao Wang *, Special Issue of "Medicinal Chemistry", CHINESE JOURNAL OF CHEMISTRY. 2013, Vol. 31, pp. 1115. Shicheng Shi, Li Han, Mi Zhou, Yangfeng Li, Zhen Liu, Biao Yu, Renxiao Wang *, "Synthesis of 4-(2-Phenylhydrazono)-1-(4-phenylthiazol-2- yl)-1H-pyrazol-5(4H)-one Compounds and Characterization of Their Affinities to Anti-apoptotic Bcl-2 Family Proteins", CHINESE JOURNAL OF CHEMISTRY. 2013, Vol. 31, pp. 1133-1138. Li Han, Renxiao Wang *, "Rise of the Selective Inhibitors of Anti-Apoptotic Bcl-2 Family Proteins", ChemMedChem. 2013, Vol. 8, pp. 1437-1440. Zhixiong Zhao, Zhengxi Zhang, Yan Li, Mi Zhou, Xun Li, Biao Yu, Renxiao Wang *, "Probing the Key Interactions between Human Atg5 and Atg16 Proteins: A Prospective Application of Molecular Modeling", ChemMedChem. 2013, Vol. 8, pp. 1270-1275. Yaochun Xu, Mi Zhou, Yan Li, Chengke Li, Zhengxi Zhang, Biao Yu, Renxiao Wang *, "Characterization of the Stereochemical Structures of 2H- Thiazolo[3,2-a]pyrimidine Compounds and Their Binding Affinities for Anti-apoptotic Bcl-2 Family Proteins", ChemMedChem. 2013, Vol. 8, pp. 1345-1352. Mi Zhou, Renxiao Wang *, "Small-Molecule Regulators of Autophagy and Their Potential Therapeutic Applications", ChemMedChem. 2013, Vol. 8, pp. 694-707.