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上海药物研究所 [24]
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Pharmacophore-Based Virtual Screening Toward the Discovery of Novel Anti-echinococcal Compounds
期刊论文
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY, 2020, 卷号: 10, 页码: 12
作者:
Liu, Congshan
;
Yin, Jianhai
;
Yao, Jiaqing
;
Xu, Zhijian
;
Tao, Yi
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2020/07/01
echinococcosis
Echinococcus multilocularis
pharmacophore modeling
virtual screenings
in vitro drug screen
cytotoxicity
E
multilocularis-infected mice
pharmacokinetics analysis
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
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
Structure‐based pharmacophore models to probe anticancer activity of inhibitors of protein kinase B‐beta (PKB β).
期刊论文
Chemical Biology & Drug Design, 2019, 卷号: Vol.93 No.3, 页码: 325-336
作者:
Akhtar, N.a
;
Jabeen, I.a
;
Jalal, N.b
;
Antilla, J.b
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  |  
浏览/下载:16/0
  |  
提交时间:2019/11/21
Akt
ligand–protein interactions
phosphoinositide 3‐kinase
quinoline‐type inhibitors
structure‐based pharmacophore modeling
virtual screening
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2018, 卷号: 76, 页码: 53-60
作者:
Li, Yaping
;
Peng, Jiale
;
Zhou, Yeheng
;
Li, Penghua
;
Li, Yingying
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  |  
浏览/下载:29/0
  |  
提交时间:2018/11/12
Checkpoint kinase 1 inhibitor
Virtual screening
Pharmacophore modeling
Molecular docking
Molecular dynamics simulations
Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2018, 卷号: 32, 期号: 9, 页码: 901-915
作者:
Li, Yaping
;
Pu, Yinglan
;
Liu, Hui
;
Zhang, Li
;
Liu, Xingyong
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  |  
浏览/下载:50/0
  |  
提交时间:2018/11/06
Wee1 inhibitors
Pharmacophore model
Molecular docking
Virtual screening
Molecular dynamics simulation
Computer-Aided Drug Design in Epigenetics
期刊论文
FRONTIERS IN CHEMISTRY, 2018, 卷号: 6
作者:
Lu, Wenchao
;
Zhang, Rukang
;
Jiang, Hao
;
Zhang, Huimin
;
Luo, Cheng
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  |  
浏览/下载:26/0
  |  
提交时间:2019/01/08
drug discovery
epigenetics
small-molecule inhibitor
computer-aided drug design
virtual screening
Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-puricie xanthine oxidase inhibitors
期刊论文
PLASTID GENOME EVOLUTION, 2018, 卷号: 85, 页码: 293-313
作者:
Peng, Jiale
;
Li, Yaping
;
Zhou, Yeheng
;
Zhang, Li
;
Liu, Xingyong
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  |  
浏览/下载:24/0
  |  
提交时间:2018/12/27
Pharmacophore modeling, molecular docking and molecular dynamics studies on natural products database to discover novel skeleton as non-puricie xanthine oxidase inhibitors
期刊论文
JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION, 2018, 卷号: 38, 期号: 3, 页码: 246-255
作者:
Peng, Jiale
;
Li, Yaping
;
Zhou, Yeheng
;
Zhang, Li
;
Liu, Xingyong
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/03/29
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
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2018/12/27
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1
期刊论文
Computational Biology and Chemistry, 2018
作者:
Yaping Li
;
Jiale Peng
;
Yeheng Zhou
;
Penghua Li
;
Yingying Li
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/02/28
Checkpoint
kinase
1
inhibitor
virtual
screening
pharmacophore
modeling
molecular
docking
molecular
dynamics
simulations
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