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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:250/27  |  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:263/42  |  提交时间:2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Design, Synthesis, and Biological Activities of Vibsanin B Derivatives: A New Class of HSP90 C-Terminal Inhibitors 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2017, 卷号: 60, 期号: 21, 页码: 9053-9066
作者:  Shao, Li-Dong;  Su, Jia;  Ye, Baixin;  Liu, Jiang-Xin;  Zuo, Zhi-Li;  Li, Yan;  Wang, Yue-Ying;  Xia, Chengfeng;  Zhao, Qin-Shi
浏览  |  Adobe PDF(5724Kb)  |  收藏  |  浏览/下载:386/42  |  提交时间:2017/12/18
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:174/52  |  提交时间:2017/02/14
Free energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and capping. 期刊论文
Natural products and bioprospecting, 2014, 卷号: 4, 期号: 5, 页码: 285-95
作者:  Zuo, Zhi-Li;  Guo, Ling;  Mancera, Ricardo L
收藏  |  浏览/下载:120/0  |  提交时间:2019/03/29