Release date:2016-05-18  Release:


Associate Professor of Physical Chemistry

School of Science

Phone: 86-25-86185151

Email: jzhang@cpu.edu.cn

Research Summary

Associate professor ZHANG’s research focuses on computer-aided drug design, quantum chemistry computation, and molecular modeling. Based on the built pharmacophore modeling of inhibitors for drug targets such as MMPs, CDKs, and HDACs, his research group perform virtual screening from natural product databases to obtain the inhibitors of novel backbone structures. Besides, the mechanisms of interactions between the inhibitors and drug targets are investigated to guide the drug designing and screening at the molecular level.



2003  Ph.D., Material Science, Nanjing University of Science and Technology

2000  M.S., Physical Chemistry, Nanjing University of Science and Technology

Academic Experience

2006-  Associate Professor of Physical Chemistry, China Pharmaceutical University

2003-2006  Postdoctor of Theoretical and Computational ChemistryNanjing University

Awards and Honors

2005  Second Prize, for Natural ScienceMinistry of Education


1.  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: 821830.

2.  Qingqing Zhang, Qizheng Yao*, Shengping Zhang, Leming Bi, Zhiguang Zhou, Ji Zhang*. Homology Modeling, Molecular Docking, and 3D-QSAR of IndirubinAnalogues as CDK1 Inhibitors. Acta Phys. -Chim. Sin. 2014, 30(2): 371381.

3.  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: 13061314.

4.  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: 10091017.

5.  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.

6.  Ji Zhang*, Jian Zu, Pei Chen, Danni Yu, Yan Yang, Yuzheng Wu. Theoretical Studies on Interaction Mechanisms between Emodin of Anthraquinones and Catalytic Zinc Ion in Matrix Metalloproteinases. Journal of Theoretical and Computational Chemistry, 2013, 12 (4): 1350023.

7.  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.

8.  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: 3644.

9.  Ji Zhang, Heming Xiao*. Computational Studies on the Infrared Vibrational Spectra, Thermodynamic Properties, Detonation Properties, and Pyrolysis Mechanism of Octanitrocubane. Journal of Chemical Physics, 2002, 116: 1067410683.

10.Ji Zhang,Heming Xiao*, Xuedong Gong. Theoretical Studies on Heats of Formation for Polynitrocubanes Using Density Functional Theory B3LYP Method and Semiempirical MO Methods. Journal of Physical Organic Chemistry,2001, 14: 583588.