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Identification of 3H-benzo[b] [1,4] diazepine derivatives as PPARα agonists by in silico studies and biochemical evaluation 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 2256867
作者:  Li,Yue;  Lv,Mengjia;  Shen,Meiling;  Gu,Xi;  Zhang,Li;  Liu,Xingyong;  Chen,Jing;  Gong,Likun;  Zuo,Zhili
浏览  |  Adobe PDF(3338Kb)  |  收藏  |  浏览/下载：5/1  |  提交时间：2024/07/31
NAFLD  PPAR alpha agonist  virtual screening  biochemical evaluation  FATTY-ACID OXIDATION  GROMACS  
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
作者:  Li, Shuxiang;  Zhang, Shuqun;  Chen, Dingyuan;  Jiang, Xuan;  Liu, Bin;  Zhang, Hongbin;  Rachakunta, Munikishore;  Zuo, Zhili
浏览  |  Adobe PDF(4261Kb)  |  收藏  |  浏览/下载：157/42  |  提交时间：2021/01/05
Computational simulation studies on the binding selectivity of Wee1 and Checkpoint kinase 1 by molecular dynamics simulation combined with free energy calculations 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020
作者:  Li, Yaping;  Liu, Xingyong;  Zhang, Shuqun;  Wang, Liangliang;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(2066Kb)  |  收藏  |  浏览/下载：199/28  |  提交时间：2021/01/05
Discovery of highly functionalized 5,6-seco-grayanane diterpenoids as potent competitive PTP1B inhibitors 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2020
作者:  Zhou, Junfei;  Zuo, Zhili;  Liu, Junjun;  Zhang, Hanqi;  Zheng, Guijuan;  Yao, Guangmin
浏览  |  Adobe PDF(1539Kb)  |  收藏  |  浏览/下载：141/34  |  提交时间：2021/01/05
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
浏览  |  Adobe PDF(7335Kb)  |  收藏  |  浏览/下载：257/30  |  提交时间：2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
Discovery of novel indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors by virtual screening 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 78, 页码: 306-316
作者:  Zhou, Yeheng;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Li, Yingying;  Zhang, Li;  Sun, Wei;  Liu, Xingyong;  Zuo, Zhili
浏览  |  Adobe PDF(2732Kb)  |  收藏  |  浏览/下载：272/45  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
The discovery of new acetylcholinesterase inhibitors derived from pharmacophore modeling, virtual screening, docking simulation and bioassays 期刊论文
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 12, 页码: 3734-3742
作者:  Zhang, Yunqin;  Zhang, Shuqun;  Xu, Guowei;  Yan, Hui;  Pua, Yinglan;  Zuo, Zhili
浏览  |  Adobe PDF(1699Kb)  |  收藏  |  浏览/下载：178/54  |  提交时间：2017/02/14