中国药科大学基础部导师：陈亚东

　　个人简介

　　陈亚东，男，1970年5月生。博士，副教授，硕士研究生导师。

　　1995年硕士毕业于吉林大学化学系，后入中国药科大学工作，2009年获中国药科大学药物化学博士学位。目前主要从事基于重大疾病相关性分子靶标的新药发现，以及药物设计新方法的研究。主持和参与了国家重大科技专项“重大新药创制”(No.2009ZX09501-03)、国家自然科学基(No. 30772624 ;No.30973609),江苏省自然科学基金(No.BK2006151)等多项科研项目。2008年获江苏省“青蓝工程”青年骨干教师称号。主编或参编学术著作和教材3本;申请国内专利7项，已授权2项;已在J. Chem. Inf. Model. ,Eur. J. Med. Chem.、J. Mol. Graph. Model等国际SCI学术期刊发表论文近30篇。多次受邀担当Eur. J. Med. Chem.、J. Mol. Model.等国际SCI期刊审稿专家。

　　主要研究方向

　　1)基于重要靶标的药物设计研究

　　结合理性的药物设计、化学合成及生物学评价，开展针对重大疾病(如肿瘤、心血管、糖尿病等)的药物设计研究，力争发现具有较好活性的先导化合物。

　　2) 计算机辅助药物设计新方法研究

　　应用化学、生物学和计算科学等交叉学科的新方法和新技术，发展新的药物设计方法和技术。如基于靶标结构的高通量虚拟筛选方法、基于天然活性成分的反向靶标虚拟筛选方法、基于靶标三维结构的集中组合库设计和基于分子碎片的全新药物设计方法等。

　　近年代表性论文

　　[1] Haoliang Yuan, Tao Lu, Ting Ran, Haichun Liu, Shuai Lu, Wenting Tai, Ying Leng, Weiwei Zhang, Jian Wang and Ya-Dong Chen*, A novel lead identification strategy based on three-dimensional fragment approaches. J. Chem. Inf. Model., 2011，51(4),959-974

　　[2] Ting Ran, Tao Lu, Haoliang Yuan, Haichun Liu, Jian Wang, Weiwei Zhang, Ying Leng, Ya-Dong Chen*, A selectivity study on mTOR/PI3Kα inhibitors by homology modeling and 3D-QSAR, J. Mol. Model. 2011 Apr 27 DOI: 10.1007/s00894-011-1034-3

　　[3] Yayu Tan, Yadong Chen*, Qidong You, Haopeng Sun and Manhua Li. Predicting the potency of hERG K+ channel inhibition by combining 3D-QSAR pharmacophore and 2D-QSAR models. J. Mol. Model. 2011 Jun 10 DOI: 10.1007/s00894-011-1136-y

　　[4] Xiu-Mei Chen, Tao Lu, Shuai Lu, Hui-Fang Li, Hao-Liang Yuan, Ting Ran, Hai-Chun Liu, Ya-Dong Chen*. Structure-based and shape-complemented pharmacophore modeling for the discovery of novel checkpoint kinase 1 inhibitors. J. Mol. Model. 2010, 16:1195–1204.

　　[5] Yadong Chen, Huifang Li, Wanquan Tang, Chengchao Zhu, Yongjun Jiang, Jianwei Zou,Qingsen Yu, Qidong You. 3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment. Eur. J. Med. Chem.(2009), 44:2868-2876

　　[6] Hui-Fang Li, Tao Lu, Tian Zhu, Yong-Jun Jiang, Sha-Sha Rao, Li-Ye Hu, Bo-Tao Xin and Ya-Dong Chen*. Virtual screening for Raf-1 kinase inhibitors based on pharmacophore model of substituted ureas. Eur. J. Med. Chem.(2008), 44(3):1240-1249

　　[7]Ya-Dong Chen, Yong-Jun Jiang, Jian-Wei Zhou, Qing-Sen Yu and Qi-Dong You. Identification of Ligand Features Essential for HDACs Inhibitors by Pharmacophore Modeling. J. Mol. Graph. Model., 2008,26 ,1160–1168

　　[8] Xiang Zhou, Ya-Dong Chen, Tao Wang, Xiao-Bing Wang, Ling-Yi Kong. Rational design, synthesis, biological evaluation, homology and docking studies of coumarin derivatives as α1 -adrenoceptor antagonists. Chem. Biodivers. 2011 Jun; 8(6):1052-64.

　　[9] Xiao-Yun Lu, Ya-Dong Chen, Qi-Dong You. 3D-QSAR, molecular docking studies, and binding mode prediction of thiolactomycin analogs as mtFabH inhibitors. J. Enzyme. Inhib. Med. Chem. 2010 Apr;25(2):240-9.

　　[10] Huifang Li, Yadong Chen, Shasha Rao, Jihong Qin, Haichun Liu, Weifang Tang, Yue Wang, Xiang Zhou, Tao Lu. Recent Advances in the Research and Development of B-Raf. Curr. Med. Chem. 2010, 17, 1618-1634

　　[11] Xiao-Yun Lu, Ya-Dong Chen, Qi-Dong You. 3D-QSAR studies of arylcarboxamides with inhibitory activity on InhA using pharmacophore-based alignment. Chem. Biol. Drug. Des. 2010;75(2):195-203

　　[12] Xiao-Yun Lu, Ya-Dong Chen, Ni-yue Sun, Yong-Jun Jiang, Qi-Dong You Molecular-docking-guided 3D-QSAR studies of substituted isoquinoline-1,3-(2H,4H)-diones as cyclin-dependent kinase 4 (CDK4) inhibitors. J. Mol. Model. 2010;16(2):163-73.

　　[13] Hong Su, Liqin Yu, Angela Nebbioso, Vincenzo CaRafa, Yadong Chen, Lucia Altucci, Qidong You. Novel N-hydroxybenzamide-based HDAC inhibitors with branched CAP group. Bioorg. Med. Chem. Lett. 2009 ,19(22):6284-8

　　[14] Xiao-Yun Lu, Ya-Dong Chen, Yong-Jun Jiang, Qi-Dong You. Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening. Eur. J. Med. Chem.(2009)44:3718-3730

　　[15] 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(14):144703.

　　[16] Tian Zhu, Yu Jiao, Ya-Dong Chen, Xuan Wang, Hui-Fang Li, Lu-Yong Zhang, Tao Lu. Pharmacophore identification of the Raf-1 kinase inhibitors. Bioorg. Med. Chem. Lett. 2008,18(7):2346-50.

　　[17] Hong Su, Angela Nebbioso, Vincenzo CaRafa, Yadong Chen, Bo Yang, Lucia Altucci, Qidong You. Design, synthesis and biological evaluation of novel compounds with conjugated structure as anti-tumor agents. Bioorg. Med. Chem. 2008, 16 ,7992–8002

　　[18] Fei Liu, Qi-Dong You and Ya-Dong Chen. Pharmacophore identification of KSP inhibitors. Bioorg. Med Chem. Lett., 2007, 17(3), 722-726

　　[19] Cheng Jiang , Yadong Chen , Xiaojian Wang, Qi-dong You. Docking studies on kinesin spindle protein inhibitors:an important cooperative "minor binding pocket" which increases the binding affinity significantly. J. Mol. Model ,2007,13:987–992

　　[20] Shu-Lin Zhuang, Qing-Sen Yu, Jian-Wei Zou, Yong-Jun Jiang, Ya-Dong Chen, Hua-Xing Zhang, Hai-Xiao Jin, Hai-Chun Liu and Na Zhang. A study of the interaction of cinnamate analogues with macrophage migration inhibitory factor (MIF) and P1G mutant from molecular dynamics simulations. J. Mol. Struct.: THEOCHEM, 2006, 763(1-3), 97-101.

　　招生对象

　　课题组欢迎有药学、中药学、化学、生物学、计算机背景的学生前来报考和加盟。

　　联系方式

　　Tel: 025-86185163 E-mail: ydchen@cpu.edu.cn