个人简述:

陈亚东，教授，药物化学专业、药学信息学专业博士生导师。江苏省“青蓝工程”优秀青年骨干教师（2008），江苏省 “青蓝工程”中青年学术带头人（2014）。2012年5月-2013年4月美国密歇根大学（University of Michigan, Ann Arbor）医学院综合癌症中心访问学者。主持和参与了国家自然科学基金(81473077、30772624、30973609)，国家重大科技专项“重大新药创制”（2009ZX09501-03）、江苏省自然科学基金（BK2006151）、中央高校基本科研业务费专项基金重点基础研究项目等多项科研项目。申请国内专利14项，国际专利1项，授权3项；主编或参编学术著作和教材3本；在J. Chem. Inf. Model. ,Eur. J. Med. Chem.、J. Mol. Graph. Model等国际学术期刊发表SCI论文40多篇。2015年课题组发现的1.1类抗肿瘤新药临床前化合物以5000万人民币转让给上市公司上海复星医药。

科研工作:

近三年代表性论文：[1] Identification of Covalent Binding Sites Targeting Cysteines Based on Computational Approaches. Yanmin Zhang, Danfeng Zhang, Haozhong Tian, Yu Jiao, Zhihao Shi, Ting Ran, Haichun Liu, Shuai Lu, Anyang Xu, Xin Qiao, Jing Pan, Lingfeng Yin, Weineng Zhou, Tao Lu*, and Yadong Chen*.Mol. Pharmaceutics, DOI: 10.1021/acs.molpharmaceut.6b00302[2] 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 Yadong Chen*. Int. J. Mol. Sci. 2015, 16(10), 24451-24474 doi:10.3390/ijms161024451[3] 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 DOI:10.1016/j.molstruc.2015.05.007[4] 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). DOI:10.1039/C4MB00723A ·[5] 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 05/2015 19(4). DOI:10.1007/s11030-015-9592-4 ·[6] Quantitative structure–activity relationship study on BTK inhibitors by modified multivariate adaptive regression spline and CoMSIA methods. Xu A, Zhang Y, Ran T, Liu H, Lu S, Xu J, Xiong X, Jiang Y, Lu T, Yadong Chen*. SAR and QSAR in Environmental Research, 2015,26(4):279-300.[7] 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, 2015, 28（8）:467-479. DOI:10.1002/jmr.2464 ·[8] De Novo Design of High Potent DPP-IV Inhibitors Based on the Scaffold of Cyanopyrrolidine Jiang, Yu-Lei Yuan, Hao-Liang Zhang, Wei-Wei Liu, Hai-Chun Zhang, Yan-Min Xiong, Xiao Xu, Jin-Xing Lu, Shuai Lu, Tao Chen, Ya-Dong*. Letters in Drug Design & Discovery, 12(6):479-487.[9] Molecular modeling of exquisitely selective c-Met inhibitors through 3D-QSAR and molecular dynamics simulations. Haoliang Yuan, Jin Zhuang, Shihe Hu, Huifang Li, Jinxing Xu, Yaning Hu, Xiao Xiong, Yadong Chen*, and Tao Lu*，Journal of Chemical Information and Modeling, 2014,54(9): 2544-2554.[10] 3D-QSAR and molecular fragment replacement study on diaminopyrimidine and pyrrolotriazine ALK inhibitors. Zhipeng Ke, Tao Lu, Haichun Liu, Haoliang Yuan, Ting Ran, Yanmin Zhang, Sihui Yao, Xiao Xiong, Jinxing Xu, Anyang Xu, Yadong Chen*. Journal of Molecular Structure.2014, 1067:127[11]An efficient multistep ligand-based virtual screening approach for GPR40 agonists. SihuiYao, Tao Lu, Zifan Zhou, Haichun Liu,Haoliang Yuan,Ting Ran,Shuai Lu,Yanmin Zhang, ZhipengKe, Jinxing Xu, Xiao Xiong and Yadong Chen*, Mol Divers. 2014,18(1):183-93.