张骥，男，博士，副教授，硕士研究生导师。2003年获南京理工大学博士学位，2003-2006年在南京大学理论与计算化学研究所从事博士后研究，2006年起任中国药科大学副教授。已在国内外核心学术刊物上发表论文30余篇，多数被SCI收录，参与完成多项国家及省部级科研项目，2004年获国防科学技术二等奖，2005年获教育部科学技术二等奖。
主要研究方向：
1、计算机辅助药物设计
2、分子模拟
目前运用计算机辅助药物设计和计算化学方法，构建药物靶标的药效团模型，从化合物数据库中筛选新型先导化合物，并对其进行结构修饰和优化，以设计生物活性高、选择性强的抑制剂。另一方面，运用分子对接、量子力学/分子力学计算、分子动力学模拟等方法，研究药物靶标与抑制剂之间的相互作用机理，进而在分子水平上指导抑制剂的分子设计与筛选。
近年来已发表的主要论文：
[1] Yijun Wang, Limei Yang, Jiaying Hou, Qing Zou, Qi Gao, Wenhui Yao, Qizheng Yao, Ji Zhang*. Hierarchical virtual screening of the dual MMP-2/HDAC-6 inhibitors from natural products based on pharmacophore models and molecular docking. Journal of Biomolecular Structure and Dynamics, 2018, DOI: 10.1080/07391102.2018.1434833.
[2] Jiaying Hou, Qing Zou, Yijun Wang, Qi Gao, Wenhui Yao, Qizheng Yao, Ji Zhang*. Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation. Journal of Biomolecular Structure and Dynamics, 2018, DOI: 10.1080/07391102.2018.1509019.
[3] Qi Gao, Yijun Wang, Jiaying Hou, Qizheng Yao, Ji Zhang*. Multiple receptor-ligand based pharmacophore modeling and molecular docking to screen the selective inhibitors of matrix metalloproteinase-9 from natural products. Journal of Computer-Aided Molecular Design, 2017, 31: 625-641.
[4]Zhiguang Zhou, Qizheng Yao, Dong Lei, Qingqing Zhang, Ji Zhang*. Investigations on the Mechanisms of Interactions between Matrix Metalloproteinase 9 and Its Flavonoid Inhibitors Using a Combination of Molecular Docking, Hybrid Quantum Mechanical/Molecular Mechanical Calculations, and Molecular Dynamics Simulations. Canadian Journal of Chemistry, 2014, 92: 821-830.
[5]Ji Zhang*, Hui Li, Yiran Fan, Xia Zhou. Mechanisms of Interaction between Luteolin and the Catalytic Zinc Ion in Matrix Metalloproteinases: A Computational Study. Journal of Physical Organic Chemistry, 2012, 25: 1306-1314.
[6]Ji Zhang*, Tao Lu, Chen Jiang, Jianwei Zou, Fengqi Cao, Yadong Chen. Mechanisms for Chemical Transformations of (R,R)-tartaric Acid on Cu(110): A First Principles Study. Journal of Chemical Physics, 2009, 131: 144703.
[7]Ji Zhang*, Hui Li, Xia Zhou, Yiran Fan, Zhiguang Zhou, Qizheng Yao. Computational Studies on Structural Modifications for the Inhibition of Matrix Metalloproteinases Activities by Luteolin. Canadian Journal of Chemistry, 2013, 91: 1009-1017.
[8] Qingqing Zhang, Qizheng Yao*, Shengping Zhang, Leming Bi, Zhiguang Zhou, Ji Zhang*. Homology Modeling, Molecular Docking, and 3D-QSAR of Indirubin Analogues as CDK1 Inhibitors. Acta Phys. -Chim. Sin. 2014, 30(2): 371-381.
[9] Dongyin Chen, Chang Xu, Jie Deng, Chunhuan Jiang, Xiaoan Wen, Lingyi Kong, Ji Zhang*, Hongbin Sun*. Proton-exchanged montmorillonite- mediated reactions of methoxybenzyl esters and ethers. Tetrahedron, 2014, 70: 1975–1983.
[10]Jixin Tian, Yuan Tian, Lei Xu, Ji Zhang, Tao Lu, Zunjian Zhang*. Characterisation and Identification of Dihydroindole-type Alkaloids From Processed Semen Strychni by High-Performance Liquid Chromatography Coupled with Electrospray Ionisation Ion Trap Time-of-Flight Mass Spectrometry. Phytochemical Analysis, 2014, 25: 36-44.
联系方式: jzhang@cpu.edu.cn