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Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9
作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai;  Wang, Liangliang;  Chang, Kwen-Jen
浏览  |  Adobe PDF(1542Kb)  |  收藏  |  浏览/下载：273/73  |  提交时间：2020/03/18
delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking  
Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 801-816
作者:  Wang, Dong;  Li, Zhaoyang;  Liu, Yi;  Chen, Mo;  Chen, Nianhang;  Zuo, Zhili;  Kong, De-Xin
浏览  |  Adobe PDF(1462Kb)  |  收藏  |  浏览/下载：156/30  |  提交时间：2019/09/10
BRS-3D  monoamine oxidase selective inhibitors  virtual screening  
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：237/25  |  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：251/42  |  提交时间：2019/03/25
IDO1  Molecular docking  HipHop pharmacophore  3D-QSAR  PAINS  
Structure-Activity Relationship of Xanthones as Inhibitors of Xanthine Oxidase 期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: 365
作者:  Zhou, Ling-Yun;  Peng, Jia-Le;  Wang, Jun-Ming;  Geng, Yuan-Yuan;  Zuo, Zhi-Li;  Hua, Yan
浏览  |  Adobe PDF(2334Kb)  |  收藏  |  浏览/下载：206/41  |  提交时间：2018/05/08
Xanthone  Xanthine Oxidase Inhibitors  3d-qsar  Gout  
Discovery of FIXa inhibitors by combination of pharmacophore modeling, molecular docking, and 3D-QSAR modeling 期刊论文
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 卷号: 38, 期号: 3, 页码: 246-255
作者:  Li, Penghua;  Peng, Jiale;  Zhou, Yeheng;  Li, Yaping;  Liu, XingYong;  Wang, LiangLiang;  Zuo, ZhiLi
浏览  |  Adobe PDF(2006Kb)  |  收藏  |  浏览/下载：257/37  |  提交时间：2018/12/27
Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2017, 卷号: 70, 页码: 186-190
作者:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
浏览  |  Adobe PDF(371Kb)  |  收藏  |  浏览/下载：138/23  |  提交时间：2017/12/11
B-raf Kinase Inhibitors  Virtual Screening  Pharmacophore  Molecular Docking  3d Qsar  Binding Free Energy Calculation  
三种天然产物的结构修饰与生物活性研究 学位论文
: 中国科学院大学, 2017
作者:  任健
Adobe PDF(19285Kb)  |  收藏  |  浏览/下载：68/11  |  提交时间：2019/06/14
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
Adobe PDF(1591Kb)  |  收藏  |  浏览/下载：307/64  |  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
Adobe PDF(1125Kb)  |  收藏  |  浏览/下载：238/80  |  提交时间：2016/08/22
Ache  Ad  Hqsar  Comfa  Comsia  Huprines Inhibitors