中国药科大学理学院导师:陈亚东

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中国药科大学理学院导师:陈亚东

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中国药科大学理学院导师:陈亚东 正文


  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


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