【近年来获得的学术科研成果】 1. 2015-2017 PI3K抑制剂的虚拟筛选及其在多发性骨髓瘤治疗中的应用（2015M581954），第58批中国博士后科学基金面上项目 2. 2015-2017 浙江省博士后科研经费择优资助项目 （BSH1502122） 【近年来主要研究课题】 1. 计算机模拟药物设计：定量构效关系模型（QSAR）、同源建模（Homology Modeling）、虚拟筛选（virtual screening）、药效团模型（pharmacophore modeling）、分子对接（molecular docking）、动力学模拟及自由能计算（MD simulations and free energy calculation）； 2. 丙型肝炎蛋白NS3/NS4A抑制剂的定量构效关系（QSAR）研究; 3. 动力学模拟以及自由能计算研究PI3K抑制剂对PI3K亚型蛋白的选择性； 4. 使用虚拟筛选以及生物学实验的方法发现新型PI3K抑制剂用于治疗多发性骨髓瘤； 5. 使用基于多构象的虚拟筛选方法以及生物学实验方法发现新型组蛋白去乙酰化酶（HDAC)、ROCK抑制剂用于治疗恶性肿瘤； 6. 使用虚拟筛选以及动力学模拟的方法发现新型的去泛素化蛋白（USP7）抑制剂； 【近年来主要论文代表作】 1. Sufang Zhao, Jingyu Zhu# (#equal contribution authors), Jian Jin*. Theoretical Studies on the Selective Mechanisms of GSK3ß and CDK2 by Molecular Dynamics Simulations and Free Energy Calculations. Chemical Biology & Drug Design .2016 Nov 11 2. Lei Xu, Reng Kong, Jingyu Zhu# (#equal contribution authors). Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches. Molecular Biosystems. 2016 Jul 19;12(8):2613-21 3. Jingyu Zhu, Tingjun Hou*, Xinliang Mao*. Discovery of selective phosphatidylinositol 3-kinase inhibitors to treat hematological malignancies. Drug Discovery Today. 2015;20(8):988-94. 4. Jingyu Zhu, Chunhua Qiao, Tingjun Hou*, Xinliang Mao*. A novel PI3K inhibitor PIK-C98 displays potent preclinical activity against multiple myeloma. Oncotarget. 2015;6(1):185-95. 5. Juan Tang#, Jingyu Zhu# (#equal contribution authors), Chunhua Qiao, Tingjun Hou*, Xinliang Mao*. A virtual screen identified C96 as a novel inhibitor of phosphatidylinositol 3-kinase that displays potent preclinical activity in multiple myeloma in vitro and in vivo. Oncotarget. 2014;5(11):3836-48. 6. Jingyu Zhu, Peichen Pan, Youyong Li, Biyin Cao, Xinliang Mao, Tingjun Hou*. Theoretical studies on beta and delta isoform-specific binding mechanisms of phosphoinositide 3-kinase inhibitors. Molecular Biosystems, 2014;10(3):454-66. 7. Jingyu Zhu, Tingjun Hou*, Xinliang Mao*. Targeting the phosphatidylinositol 3-kinase/AKT pathway for the treatment of multiple myeloma. Current Medicinal Chemistry. 2014;21(27):3173-87. 8. Jie Li#, Jingyu Zhu# (#equal contribution authors), Biyin Cao, Xinliang Mao*. The mTOR signaling pathway is an emerging therapeutic target in multiple myeloma. Current Pharmaceutical Design, 2014;20(1):125-35. 9. Jingyu Zhu, Youyong Li, Huidong Yu, Liling Zhang, Xinliang Mao, Tingjun Hou*. Insight into the structural requirements of narlaprevir-type inhibitors of NS3/NS4A protease based on hqsar and molecular field analyses. Combinatorial Chemistry & High Throughput Screening, 2012;15(6):439-50. 10. Jingyu Zhu, Junmei Wang, Huidong Yu, Youyong Li, Tingjun Hou*. Recent developments of in silico predictions of oral bioavailability. Combinatorial Chemistry & High Throughput Screening, 2011;14(5):362-74. 【主要授权国家发明专利】 [1] 一种PI3K小分子抑制剂及其应用。 201410191824.1 [2] 一种化合物及其制备与应用。 201310387348.6 |
