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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
Authors:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping;  Liu, Xingyong;  Zhang, Li;  Wang, Liang-Liang;  Zuo, Zhili
Favorite  |  View/Download:9/0  |  Submit date:2019/07/29
Pharmacophore modeling  Molecular docking  Quantitative structure activity relationship (QSAR)  Molecular dynamics  AMPK  Activator  
12th全国天然有机化学学术会议摘要集 会议录
Editors:  中国化学会
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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
Authors:  Li, Penghua;  Peng, Jiale;  Zhou, Yeheng;  Li, Yaping;  Liu, XingYong;  Wang, LiangLiang;  Zuo, ZhiLi
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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
Authors:  Zhang, Wen;  Qiu, Kai-Xiong;  Yu, Fang;  Xie, Xiao-Guang;  Zhang, Shu-Qun;  Chen, Ya-Juan;  Xie, Hui-Ding
View  |  Adobe PDF(371Kb)  |  Favorite  |  View/Download:46/1  |  Submit date: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
Authors:  任健
Adobe PDF(19285Kb)  |  Favorite  |  View/Download:13/3  |  Submit date: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
Authors:  Zhang, Shuqun;  Lin, Zichun;  Pu, Yinglan;  Zhang, Yunqin;  Zhang, Li;  Zuo, Zhili
View  |  Adobe PDF(1591Kb)  |  Favorite  |  View/Download:186/20  |  Submit date: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
Authors:  Zhang, Shuqun;  Hou, Bo;  Yang, Huaiyu;  Zuo, Zhili
View  |  Adobe PDF(1125Kb)  |  Favorite  |  View/Download:123/39  |  Submit date: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
Authors:  Zhang, Yunqin;  Zhang, Shuqun;  Xu, Guowei;  Yan, Hui;  Pua, Yinglan;  Zuo, Zhili
View  |  Adobe PDF(1699Kb)  |  Favorite  |  View/Download:65/15  |  Submit date:2017/02/14
钩藤碱类生物碱的骨架构筑及全合成研究 学位论文
, 昆明: 中国科学院大学, 2015
Authors:  徐君
Adobe PDF(12297Kb)  |  Favorite  |  View/Download:359/14  |  Submit date:2017/06/09
螺状氧化吲哚四环骨架  交叉脱氢偶联反应  全合成  
三种茜草属植物中环肽和其他成分及生物活性研究 学位论文
, 昆明: 中国科学院大学, 2015
Authors:  赵思蒙
Adobe PDF(10750Kb)  |  Favorite  |  View/Download:264/13  |  Submit date:2017/06/09
茜草属  金剑草  多花茜草  钩毛茜草  茜草科类型环肽  萘醌二聚体  Nf-κb信号通路  分子对接  药效团