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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：3/1  |  提交时间：2024/07/31
NAFLD  PPAR alpha agonist  virtual screening  biochemical evaluation  FATTY-ACID OXIDATION  GROMACS  
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：196/26  |  提交时间：2021/01/05
Comparative QSAR studies using HQSAR, CoMFA, and CoMSIA methods on cyclic sulfone hydroxyethylamines as BACE1 inhibitors 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 67, 期号: 1, 页码: 38-47
作者:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
浏览  |  Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：322/66  |  提交时间：2017/05/19
Bace1  Ad  Hqsar  Comfa  Comsia  
Design and prediction of new acetylcholinesterase inhibitor via quantitative structure activity relationship of huprines derivatives 期刊论文
ARCHIVES OF PHARMACAL RESEARCH, 2016, 卷号: 39, 期号: 5, 页码: 591-602
作者:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
浏览  |  Adobe PDF(1125Kb)  |  收藏  |  浏览/下载：258/84  |  提交时间：2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors  
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：177/53  |  提交时间：2017/02/14