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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:40/0
  |  
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
Efficient synthesis, biological evaluation, and docking study of isatin based derivatives as caspase inhibitors
期刊论文
JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY, 2020, 卷号: 35, 期号: 1, 页码: 1674-1684
作者:
Firoozpour, Loghman
;
Gao, Lixin
;
Moghimi, Setareh
;
Pasalar, Parvin
;
Davoodi, Jamshid
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  |  
浏览/下载:22/0
  |  
提交时间:2020/12/24
Caspase inhibitor
Isatin sulphonamides
docking studies
Pharmacophore
apoptosis
Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2019, 卷号: 33, 期号: 5, 页码: 521-530
作者:
Jiang, Cheng-Shi
;
Ge, Yong-Xi
;
Cheng, Zhi-Qiang
;
Song, Jia-Li
;
Wang, Yin-Yin
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
AChE inhibitor
Pharmacophore model
Molecular docking
Anti-A aggregation
Neuroprotective activity
Three new compounds with nitric oxide inhibitory activity from Tirpitzia sinensis, an ethnomedicinal plant from Southwest China
期刊论文
BMC CHEMISTRY, 2019, 卷号: 13, 页码: 12
作者:
Gu, Ronghui
;
Wang, Yuehu
;
Wu, Shibiao
;
Wang, Yeling
;
Li, Ping
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  |  
浏览/下载:72/0
  |  
提交时间:2019/07/29
Tirpitzia sinensis
Linaceae
Lignans
Inflammatory
NO inhibition
Pharmacological targets
Pharmacophore
In silico
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
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  |  
浏览/下载:66/0
  |  
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
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浏览/下载:58/0
  |  
提交时间:2019/03/25
IDO1
Molecular docking
HipHop pharmacophore
3D-QSAR
PAINS
Pharmacophore-based drug design for the identification of novel butyrylcholinesterase inhibitors against Alzheimer's disease
期刊论文
PHYTOMEDICINE, 2019, 卷号: 54, 期号: 2, 页码: 278-290
作者:
Jiang, YY (Jiang, Yingying)[ 2 ]
;
Gao, HW (Gao, Hongwei)[ 1,2 ]
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  |  
浏览/下载:46/0
  |  
提交时间:2019/03/19
Alzheimer's disease (AD)
Butyrylcholinesterase (BChE)
Flavonoids
Pharmacophore models
Molecular docking
De novo evolution
Virtual Screening for Type ⅡB Inhibitors of B-RafV600E Kinase.
期刊论文
Current computer-aided drug design, 2019
作者:
Qiu Kai-Xiong
;
Zhang Wen
;
Yu Fang
;
Li Wei
;
Sun Zhong-Wen
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2019/12/04
B-RafV600E Kinase
Type ⅡB Inhibitors
Virtual Screening
Pharmacophore Modelling
Molecular Docking
3D-QSAR
Binding Free Energy Calculation
Thiophenol-formaldehyde triazole causes apoptosis induction in ovary cancer cells and prevents tumor growth formation in mice model
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 172
作者:
Yu, Qing
;
Jia, Yan
;
Si, Lihui
;
Lin, Ruixin
;
Jin, Hongjuan
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2019/12/05
Macrophages
Pharmacophore
Heterocyclic
Metastasis
Migration
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
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