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中国科学院昆明植物研究所知识管理系统
Knowledge Management System of Kunming Institute of Botany,CAS
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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
Authors:
Pan, Chenling
;
Meng, Hao
;
Zhang, Shuqun
;
Zuo, Zhili
;
Shen, Yuehai
;
Wang, Liangliang
;
Chang, Kwen-Jen
Adobe PDF(1542Kb)
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Submit date: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
Authors:
Wang, Dong
;
Li, Zhaoyang
;
Liu, Yi
;
Chen, Mo
;
Chen, Nianhang
;
Zuo, Zhili
;
Kong, De-Xin
Adobe PDF(1462Kb)
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Submit date: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
Authors:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
;
Liu, Xingyong
;
Zhang, Li
;
Wang, Liang-Liang
;
Zuo, Zhili
Adobe PDF(7335Kb)
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Submit date: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
Authors:
Zhou, Yeheng
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
;
Li, Yingying
;
Zhang, Li
;
Sun, Wei
;
Liu, Xingyong
;
Zuo, Zhili
Adobe PDF(2732Kb)
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Submit date: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
Authors:
Zhou, Ling-Yun
;
Peng, Jia-Le
;
Wang, Jun-Ming
;
Geng, Yuan-Yuan
;
Zuo, Zhi-Li
;
Hua, Yan
Adobe PDF(2334Kb)
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Submit date: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
Authors:
Li, Penghua
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Yaping
;
Liu, XingYong
;
Wang, LiangLiang
;
Zuo, ZhiLi
Adobe PDF(2006Kb)
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Submit date: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
Authors:
Zhang, Wen
;
Qiu, Kai-Xiong
;
Yu, Fang
;
Xie, Xiao-Guang
;
Zhang, Shu-Qun
;
Chen, Ya-Juan
;
Xie, Hui-Ding
Adobe PDF(371Kb)
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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
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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
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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
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Submit date:2016/08/22
Ache
Ad
Hqsar
Comfa
Comsia
Huprines Inhibitors