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中国科学院上海药物研究所导师教师师资介绍简介-徐志建

本站小编 Free考研考试/2021-02-10

xm:徐志建
xb:男
zc:副研究员
xl:博士
dh:-1304
cz:
dzyj:zjxu@simm.ac.cn
grzy:https://www.researchgate.net/profile/Zhijian_Xu
zjlb:
zw:
txdz:上海市浦东新区祖冲之路555号1201室
grjj:徐志建,药物设计学博士,副研究员,硕士生导师。主要从事分子模拟及药物设计方面的研究工作,专注于分子模拟与药物设计新方法的发展,以及这些方法在药物发现方面的应用研究。

率先在药物设计中引入卤键,首次通过计算模拟阐明卤键作用与化合物成药性的关系,开发了可以处理卤键的分子对接软件,将此软件移植到国产超级计算机上,一天可虚拟筛完4200万个化合物。单篇论文最高被引用179次,在卤键方面的研究工作被得克萨斯大学Mahesh Narayan教授评价为教科书式的工作(Molecules 2017, 22 (9))。

针对肿瘤及传染性疾病等重要疾病靶标蛋白开展药物设计及结构优化研究,发现了一系列活性化合物。利用计算模拟,发现用于胆囊炎、胆道炎、胆石症及胆道手术后综合征的老药柳胺酚在骨髓瘤方面的新用途,目前在上海市第十人民医院开展临床研究。

共发表SCI研究论文60余篇,申请国家发明专利20多项。

教育经历:

2007.9 ~ 2012.6 中国科学院上海药物研究所 药物设计学 理学博士

2003.9 ~ 2007.7 山东大学 生物科学 理学学士

工作经历:

2017.11 ~ 至今 中国科学院上海药物研究所 硕士生导师

2015.10 ~ 至今 中国科学院上海药物研究所 副研究员

2014.8 ~ 2015.9 中国科学院上海药物研究所 助理研究员

2012.7 ~ 2014.7 中国科学院上海药物研究所 博士后


yjfx:药物-靶标的非键相互作用,虚拟筛选,活性化合物的发现与优化,靶标预测
dblz:(1) Zhijian Xu*, Qian Zhang, Jiye Shi, Weiliang Zhu*, Underestimated noncovalent interactions in Protein Data Bank. J. Chem. Inf. Model. 2019, 59 (8), 3389-3399.

(2) Zhengdan Zhu1, Guimin Wang1, Zhijian Xu*, Zhaoqiang Chen, Jinan Wang, Jiye Shi and Weiliang Zhu*, Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole. Phys. Chem. Chem. Phys. 2019, 21 (27), 15106-15119.

(3) Zhaoqiang Chen1, Xinben Zhang1, Cheng Peng, Jinan Wang, Zhijian Xu*, Kaixian Chen, Jiye Shi*, Weiliang Zhu*, D3Pockets: A Method and Web Server for Systematic Analysis of Protein Pocket Dynamics. J. Chem. Inf. Model. 2019, 59 (8), 3353-3358.

(4) Wenqin Xiao1, Zhijian Xu1, Shuaikang Chang1, Bo Li, Dandan Yu, Huiqun Wu, Yongsheng Xie, Yingcong Wang, Bingqian Xie, Xi Sun, Yuanyuan Kong, Xiucai Lan, Wenxuan Bu, Gege Chen, Lu Gao, Xiaosong Wu, Jumei Shi*, Weiliang Zhu*, Rafoxanide, an organohalogen drug, triggers apoptosis and cell cycle arrest in multiple myeloma by enhancing DNA damage responses and suppressing the p38 MAPK pathway. Cancer Lett. 2019, 444, 45-59.

(5) Qian Zhang, Zhijian Xu*, Shi Jiye, and Weiliang Zhu*, Underestimated Halogen Bonds Forming with Protein Backbone in Protein Data Bank. J. Chem. Inf. Model. 2017, 57, 1529-1534.

(6) Qian Zhang, Zhijian Xu*, and Weiliang Zhu*, The Underestimated Halogen Bonds Forming with Protein Side Chains in Drug Discovery and Design. J. Chem. Inf. Model. 2017, 57, 22-26.

(7) Zhaoqiang Chen1, Guimin Wang1, Zhijian Xu*, Jinan Wang, Yuqi Yu, Tingting Cai, Qiang Shao, Jiye Shi*, and Weiliang Zhu*, How do Distance and Solvent Affect the Halogen Bonding Involving Negatively Charged Donors? J. Phys. Chem. B 2016, 120(34), 8784-8793.

(8) Yisu Li1, Binbin Guo1, Zhijian Xu*, Bo Li, Tingting Cai, Xinben Zhang, Yuqi Yu, Heyao Wang*, Jiye Shi, Weiliang Zhu*, Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay. Scientific Reports 2016, 6, 31074.

(9) Guimin Wang1, Zhaoqiang Chen1, Zhijian Xu*, Jinan Wang, Yang Yang, Tingting Cai, Jiye Shi*, Weiliang Zhu*, Stability and Characteristics of the Halogen Bonding Interaction in an Anion-Anion Complex: A Computational Chemistry Study. J. Phys. Chem. B 2016, 120 (4), 610-620.

(10) Yang Yang, Zhijian Xu*, Zhengyan Zhang, Zhuo Yang, Yingtao Liu, Jinan Wang, Tingting Cai, Shujin Li, Kaixian Chen, Jiye Shi*, Weiliang Zhu*, Like-Charge Guanidinium Pairing between Ligand and Receptor: An Unusual Interaction for Drug Discovery and Design? J. Phys. Chem. B 2015, 119(36), 11988-11997.

(11) Xia Liu1, Zhijian Xu1, Chuanwei Hou1, Meng Wang, Xinhuan Chen, Qinghui Lin, Rui Song,Meng Lou, Lijun Zhu, Yunqing Qiu, Zhi Chen, Chunhao Yang*, Weiliang Zhu*, Jimin Shao*, Inhibition of hepatitis B virus replication by targeting ribonucleotide reductase M2 protein. Biochem. Pharmacol. 2016, 103, 118-128.

(12) Zhuo Yang1, Zhijian Xu1, Yingtao Liu, Jinan Wang, Jiye Shi*, Kaixian Chen, and Weiliang Zhu*, Unstable, metastable, or stable halogen bonding interaction involving negatively charged donors? A statistical and computational chemistry study. J. Phys. Chem. B 2014, 118(49), 14223-14233.

(13) Zhijian Xu1, Zhuo Yang1, Yingtao Liu, Yunxiang Lu*, Kaixian Chen, Weiliang Zhu*, Halogen Bond: Its Role beyond Drug-Target Binding Affinity for Drug Discovery and Development. J. Chem. Inf. Model. 2014, 54(1), 69-78.

(14) Xinhuan Chen1, Zhijian Xu1, Lingna Zhang1, Hongchuan Liu,Xia Liu, Meng Lou, Lijun Zhu, Bingding Huang, CaiGuang Yang, Weiliang Zhu*, and Jimin Shao*, The conserved Lys-95 charged residue cluster is critical for the homodimerization and enzyme activity of human ribonucleotide reductase small subunit M2. J. Biol. Chem. 2014, 289(2), 909-920.

(15) Donghua Wen1, Zhijian Xu1, Li Xia1, Xinyi Liu, Yaoyao Tu, Hu Lei, Weiwei Wang, Tongdan Wang, Lili Song, Chunmin Ma, Hanzhang Xu, Weiliang Zhu, Guoqiang Chen*, and Yingli Wu*, Important Role of SUMOylation of Spliceosome Factors in Prostate Cancer Cells. J. Proteome Res. 2014, 13(8), 3571-3582.

(16) Zhengyan Zhang1, Zhijian Xu1, Zhuo Yang, Yingtao Liu, Jin’an Wang, Qiang Shao, Shujin Li*, Yunxiang Lu*, Weiliang Zhu*, The Stabilization Effect of Dielectric Constant and Acidic Amino Acids on Arginine-Arginine (Arg-Arg) Pairings: Database Survey and Computational Studies, J. Phys. Chem. B 2013, 117(17), 4827-4835.

(17) Zhijian Xu1, Guirui Yan1, Gaihong Wang, Bo Li, Jianming Zhu, Peng Sun, Xiaodong Zhang, Cheng Luo, Heyao Wang*, Weiliang Zhu*. Combining pharmacophore, docking and substructure search approaches to identify and optimize novel B-RafV600E inhibitors. Bioorg. Med. Chem. Lett. 2012, 22(17), 5428-5437.

(18) Zhijian Xu1, Zheng Liu1, Tong Chen1, TianTian Chen, Zhen Wang, Guanghui Tian, Jing Shi, Xuelan Wang, Yunxiang Lu, Xiuhua Yan, Guan Wang, Hualiang Jiang, Kaixian Chen, Shudong Wang, Yechun Xu*, Jingshan Shen*, Weiliang Zhu*. Utilization of Halogen Bond in Lead Optimization: a Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J. Med. Chem. 2011, 54(15), 5607-5611.


jyjl:
gzjl:
ktxm:(1)国家自然科学基金面上项目,卤键在晶体结构再精修与药物设计中的应用研究, 2019/01~2020/12,25万元,在研,主持。

(2)国家重点研发计划“高性能计算”重点专项,基于E级高性能计算生物医药应用软件系统研制及应用,2017/07 ~2020/12,749万元,在研,参加。

(3)国家重点研发计划青年科学家项目,镁离子通道蛋白的结构和功能研究, 2016/07~2021/06,500万元,在研,参加。

(4)国家自然科学基金青年基金,基于虚拟活性谱的药物重定位研究,2014/01~2016/12,23万元,已结题,主持。

(5)人事部中国博士后第7批特别资助,基于卤键的药物重定位研究,2014/04~2015/07,15万元,已结题,主持。

(6)人事部中国博士后54批面上资助,卤键调节药物代谢作用的研究,2013/06~2014/07,5万元,已结题,主持。

(7)“重大新药创制”科技重大专项,基于B-Raf激酶V600E突变体的抗肿瘤候选药物研究,2013/01~2015/12,108.46万元,已结题,参加。

(8)863,新药研发与蛋白质折叠数值模拟软件系统及应用, 2012/01 ~2015/12,939万元,已结题,参加。


ryhj:全国并行应用挑战赛挑战赛2015(PAC2015)最佳应用金奖

xpwj:http://sourcedb.simm.cas.cn/zw/gb2020/dsh/202009/P.jpg
kycg:
shrz:Journal of Chemical Information and Modeling ECB (Early Career Board) member
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