张阳博士-副教授
发布时间:2019-10-30 浏览次数:0次
张阳,博士,硕士生导师。主要从事计算机辅助药物设计及人工智能研究。擅长采用多种计算模拟手段及深度学习算法,预测蛋白结构与功能、药靶结合机制、药物耐药机制等,并基于分子模拟策略,从理论上深度解释实验结果,分子层面验证实验的可靠性,为药物设计提供新思路。目前主持河北省优秀青年科学基金,河北省教育厅青年拔尖人才项目,中央引导地方科技发展资金项目等,并作为主要人员参与省部级重大专项。到目前为止,已发表SCI论文30篇,其中以第一作者及通讯作者在PNAS、Nucleic Acids Res、Phys Chem Chem Phys、ACS Chem Neurosci、Comput Biol Med、Bioorg Chem等国际期刊发表SCI论文20篇,其中3篇影响因子大于10(被引用次数大于1100),研究成果得到同行的高度评价及广泛关注。
代表性论文:
1.INTEDE 2.0: the metabolic roadmap of drugs. Nucleic Acids Res. doi: 10.1093/nar/gkad1013.
2.VARIDT 2.0: structural variability of drug transporter. Nucleic Acids Res. doi: 10.1093/nar/gkab1013.
3.Geneticvariantrs7820258regulatestheexpression of indoleamine 2,3-dioxygenase 1 in brain regions. PNAS. doi: 10.1073/pnas.2007022117.
4.Discovery of selective HDAC6 inhibitors based on a multi-layer virtual screening strategy. Comput Biol Med. doi: 10.1016/j.compbiomed.2023.107036.
5.The binding mode of vilazodone in the human serotonin transporter elucidated by ligand docking and molecular dynamics simulations. Phys Chem Chem Phys. doi: 10.1039/c9cp05764a.
6.How Does Chirality Determine the Selective Inhibition of Histone Deacetylase 6? A Lesson from Trichostatin A Enantiomers Based on Molecular Dynamics. ACS Chem Neurosci. doi: 10.1021/acschemneuro.8b00729.
7.Design, Synthesis, and Biological Evaluation of HDAC6 inhibitors based on Cap Modification Strategy. Bioorg Chem. doi: 10.1016/j.bioorg.2022.105874.
8.Synthesis of Chalcone Derivatives: Inducing Apoptosis of HepG2 Cells via Regulating Reactive Oxygen Species and Mitochondrial Pathway. Front Pharmacol. doi: 10.3389/fphar.2019.01341.
专利申请:
1.张阳,李学东,贾庆忠,刘新岗,贺殿,朱峰。具有HDACs抑制活性的喹唑啉-4-胺衍生物及其制备方法与用途, 2022-4-14, 中国, 202210391023.4 (专利)
2.贾庆忠,李学东,刘新岗,张阳,王松松,剧苗苗,史晓兴,王香雨,祁金龙,张海林。一种具有Nav1.7钠离子通道靶向抑制作用的化合物及其药物组合物和用途, 2022-12-13, 中国,CN202211594787.X (专利)