Release date:2016-05-17  Release:


Associate Professor of Medicinal Chemistry

School of Science

Phone: 86-25-86185163


Research Summary

Yadong CHEN’s research focuses on the the development of new computational methods to gain insight for drug design, including the fragment-based drug design, virtual screening, and molecular mechanics/dynamics.Chen group is also interested in development of novel small molecules inhibiting protein-protein interactions as potential therapeutic agents and biological tools.


1999       Ph.D., Meicinal Chemistry, China Pharmaceutical University

1997       M.S.,  Inorganic ChemistryJilin University

1993       B.S.,   Organic ChemistryHubei University

Academic Experience

2010-       Associate Professor of Medicinal chemistry, School of Science

1997-2010  Lecturer of medicinal chemistrySchool of Science

Awards and Honors

2014       Young and Middle-aged Academic Leader for Universities of QINGLAN Project of Jiangsu

2008       Excellent Young Teacher in Provincial academic QINGLAN Project of Jiangsu


[1] Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds. Yanmin Zhang · Yu Jiao · Xiao Xiong · Haichun Liu · Ting Ran · Jinxing Xu · Shuai Lu · Anyang Xu · Jing Pan · Xin Qiao · Zhihao Shi · Tao Lu* · Yadong Chen*. Molecular Diversity 2015 Nov;19(4):895-913.

[2] Protein Flexibility Oriented Virtual Screening Strategy for JAK2 Inhibitors. Xiao Xiong · Haoliang Yuan · Yanmin Zhang · Jinxing Xu · Ting Ran · Haichun Liu · Shuai Lu · Anyang Xu · Hongmei Li · Yulei Jiang · Tao Lu · Yadong Chen*. Journal of Molecular Structure 05/2015; 1097. 136–144  

[3] Insight into the key interactions of bromodomain inhibitors based on molecular docking, interaction fingerprint, molecular dynamics and binding free energy calculation. Ting Ran,Zhimin Zhang,Kejun Liu,Yi Lu,Huifang Li,Jinxing Xu,Xiao Xiong,Yanmin Zhang,Anyang Xu,Shuai Lu,Haichun Liu ,Tao Lu*,Yadong Chen*. Molecular BioSystems 03/2015; 11(5): 1295-304

[4] A selectivity study of sodium-dependent glucose cotransporter 2/sodium-dependent glucose cotransporter 1 inhibitors by molecular modeling. Jinxing Xu,Haoliang Yuan,Ting Ran,Yanmin Zhang,Haichun Liu,Shuai Lu ,Xiao Xiong ,Anyang Xu,Yulei Jiang,Tao Lu ,Yadong Chen*. Journal of Molecular Recognition 02/2015; 28(8) :467-79.  

[5] Studies on [5,6]-Fused Bicyclic Scaffolds Derivatives as Potent Dual B-RafV600E/KDR Inhibitors Using Docking and 3D-QSAR Approaches. Hai-Chun Liu, San-Zhi Tang, Shuai Lu, Ting Ran, Jian Wang, Yan-Min Zhang, An-Yang Xu, Tao Lu* and Ya-Dong Chen*. Int. J. Mol. Sci. 2015, 16(10), 24451-24474

[6] Accurate Activity Predictions of B-Raf Type II Inhibitors via Molecular Docking and QSAR Studies. LIU Hai-Chun, LU Shuai, RAN Ting, ZHANG Yan-Min, XU Jin-Xing, XIONG Xiao, XU An-Yang, LU Tao*, CHEN Ya-Dong*. Acta Phys. Chim. Sin. 2015,31(11):2191-2206

[7] Quantitative structure-activity relationship study on BTK inhibitors by modified multivariate adaptive regression spline and CoMSIA methods. Xu A1, Zhang Y, Ran T, Liu H, Lu S, Xu J, Xiong X, Jiang Y, Lu T, Chen Y*. SAR QSAR Environ Res. 2015;26(4):279-300.

[8] De Novo Design of High Potent DPP-IV Inhibitors Based on the Scaffold of Cyanopyrrolidine   Yu-Lei Jiang, Hao-Liang Yuan, Wei-Wei Zhang, Hai-Chun Liu, Yan-Min Zhang, Xiao Xiong, Jin-Xing Xu, Shuai Lu, Tao Lu and Ya-Dong Chen*Letters in Drug Design & Discovery, 2015,12(6): 479-487.

[9]Haoliang Yuan, Jin Zhuang, Shihe Hu, Huifang Li, Jinxing Xu, Yaning Hu, Xiao Xiong, Yadong Chen*, and Tao Lu*. Molecular modeling of exquisitely selective c-Met inhibitors through 3D-QSAR and molecular dynamics simulations.J Chem Inf Model. 2014,  22;54(9):2544-54.

[10]SihuiYao,Tao Lu, Zifan Zhou, Haichun Liu,Haoliang Yuan,Ting Ran,Shuai Lu,Yanmin Zhang, ZhipengKe,Jinxing Xu, Xiao Xiong and Yadong Chen*, An efficient multistep ligand-based virtual screening approach for GPR40 agonists.Mol Divers. 2014,18(1):183-93.

[11]Yanmin Zhang, Shangyan Yang, Yu Jiao, Haichun Liu,Haoliang Yuan,Shuai Lu, Ting Ran, SihuiYao,ZhipengKe,Jinxing Xu, Xiao Xiong, Tao Lu* andYadong Chen*, An Integrated Virtual Screening Approach for VEGFR-2Inhibitors. Journal of chemical information and modeling. 2013. 53(12):3163–3177.

[12] Haoliang Yuan, Wenting Tai, Shihe Hu, Haichun Liu, Yanmin Zhang, Sihui Yao, Ting Ran, Shuai Lu, ZhipengKe, Xiao Xiong, Jinxing Xu, Yadong Chen* and Tao Lu*. Fragment-based Strategy for Structural Optimization in Combination with 3D-QSAR. J Comput Aided Mol Des.2013, 27:897–915.

[13] Zhang Y, Liu H, Jiao Y, Yuan H, Wang F, Lu S, Yao S, Ke Z, Tai W, Jiang Y, Chen Yadong*, Lu T. De novo design of N-(pyridin-4-ylmethyl)aniline derivatives as KDR inhibitors: 3D-QSAR, molecular fragment replacement, protein-ligand interaction fingerprint, and ADMET prediction. Mol Divers.2012,16(4):787-802

[14] BotaoXin, Weifang Tang, Yue Wang, Haichun Liu, Yu Jiao,Yong Zhu, Haoliang Yuan,Yadong Chen*, Tao Lu*. Design, synthesis and biological evaluation of -carboline derivatives as novel inhibitors targeting B-Raf kinase.Bioorg. Med. Chem. Lett.  2012. 22(14):4783-6.

[15]Lu S, Sun SL, Liu HC, Chen Yadong*, Yuan HL, Gao YP, Yang P, Lu T*. Identification of Novel Polo-like Kinase 1 Inhibitors by a Hybrid Virtual Screening.ChemBiol Drug Des.2012 May 14. 80(2):328-339.