科学研究情况简介 |
【近5年来主要研究课题】 1. 重要疾病靶点的药物设计 2. 基于重要靶点结构特征的新型虚拟筛选方法开发 3. 计算机模拟结合生物学实验开发新型抗肿瘤、抗炎等药物
【近5年来主持项目】 1. 基于PI3Kγ特征的多构象虚拟筛选用于治疗恶性血液肿瘤的研究，国家自然科学青年基金（2019 - 2021，21807049） 2. 新型PI3K抑制剂的合理药物设计及抗炎作用评价，江苏省产学研项目，（2020 - 2022，BY2020432） 3. 新型虚拟筛选整合生物学评价方法开发PI3K选择性抑制剂及抗多发性骨髓瘤作用机制研究，中央高校基本科研项目，（2018 - 2020，JUSRP11892） 4. 横向课题多项
【近5年来代表性论文】
完整论文列表详见https://publons.com/researcher/1700999/jingyu-zhu/publications/.
1. Jingyu Zhu, Kan Li, Lei Xu, Yanfei Cai, Yun Chen, Xingling Zhao, Hongzhong Li, Gang Huang, Jian Jin. Discovery of novel selective PI3Kγ inhibitors through combining machine learning-based virtual screening with multiple protein structures and bio-evaluation. J Adv Res. 2021, doi: 10.1016/j.jare.2021.04.007. 2.Jingyu Zhu, Yingmin Jiang, Lei Jia, Lei Xu, Yanfei Cai, Yun Chen, Nannan Zhu, Huazhong Li, Jian Jin. A multi-conformational virtual screening approach based on machine learning targeting PI3Kγ. Mol Divers. 2021, doi: 10.1007/s11030-021-10243-1. 3.Jingyu Zhu, Kan Li, Li Yu, Yun Chen, Yanfei Cai, Jian Jin, Tingjun Hou. Targeting phosphatidylinositol 3-kinase gamma (PI3Kγ): Discovery and development of its selective inhibitors. Med Res Rev. 2021, 41(3):1599-1621. 4.Jingyu Zhu, Yuanqing Wu, Man Wang, Kan Li, Lei Xu, Yun Chen, Yanfei Cai, Jian Jin. Integrating Machine Learning-Based Virtual Screening With Multiple Protein Structures and Bio-Assay Evaluation for Discovery of Novel GSK3β Inhibitors. Front Pharmacol. 2020; 11: 566058. 5.Jingyu Zhu, Qianqian Yu, Yanfei Cai, Yun Chen, Hui Liu, Wenqing Liang, Jian Jin. Theoretical Exploring Selective-Binding Mechanisms of JAK3 by 3D-QSAR, Molecular Dynamics Simulation and Free Energy Calculation. Front Mol Biosci. 2020; 7: 83. 6.Jingyu Zhu, Kan Li, Lei Xu, Jian Jin. Insight into the selective mechanism of phosphoinositide 3-kinase gamma with benzothiazole and thiazolopiperidine gamma-specific inhibitors by in silico approaches. Chem Biol Drug Des. 2019; 93(5): 818-831.
【近5年主要授权专利】 1. 1. 9-甲基-3,6-二乙酰基咔唑用于治疗或预防肿瘤疾病的用途，授权号：ZL201910067038.3 【主要奖励】 1. 2020年中国商业联合会科学技术三等奖
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