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)