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Discovery of 1,5-Dihydro-4H-imidazol-4-one Derivatives as Potent, Selective Antagonists of CXC Chemokine Receptor 2
期刊论文
ACS MEDICINAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 5, 页码: 836-845
作者:
Che, Jinxin
;
Wang, Zhilong
;
Shen, Zheyuan
;
Zhuang, Weihao
;
Ying, Huazhou
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2021/08/17
cancer metastasis
CXCR1
CXCR2
selectivity
antagonist
1,5-dihydro-4H-imidazol-4-one
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
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  |  
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
Combining an in silico approach with an animal experiment to investigate the protective effect of troxerutin for treating acute lung injury
期刊论文
BMC COMPLEMENTARY AND ALTERNATIVE MEDICINE, 2019, 卷号: 19, 页码: 11
作者:
Li, Ying
;
Ma, Pan
;
Fu, Jin
;
Wu, Jingjing
;
Wu, Xue
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  |  
浏览/下载:58/0
  |  
提交时间:2019/12/02
Troxerutin
In silico prediction
Acute lung injury
Protective effect
Inflammatory response
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
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  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
AChE inhibitor
Pharmacophore model
Molecular docking
Anti-A aggregation
Neuroprotective activity
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:65/0
  |  
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:57/0
  |  
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
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
Evaluation of the combination mode and features of p38 MAPK inhibitors: construction of different pharmacophore models and molecular docking
期刊论文
MOLECULAR SIMULATION, 2019, 卷号: 45, 期号: 12, 页码: 975-984
作者:
Sun, Bin
;
Zhang, Hong
;
Dong, Yue
;
Zhao, Liyu
;
Han, Jun
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/11
p38 MAPK inhibitors
targeting kinase
pharmacophore model
molecular
docking
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
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