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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
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浏览/下载:61/0
  |  
提交时间:2021/08/17
cancer metastasis
CXCR1
CXCR2
selectivity
antagonist
1,5-dihydro-4H-imidazol-4-one
Structural optimization and biological evaluation for novel artemisinin derivatives against liver and ovarian cancers
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 211, 页码: 13
作者:
Zhou, Yu
;
Li, Xiaoguang
;
Chen, Kerong
;
Ba, Qian
;
Zhang, Xu
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  |  
浏览/下载:40/0
  |  
提交时间:2021/06/11
Structural optimization
Lead compound
Artemisinin derivatives
Cancer
Structural optimization and biological evaluation for novel artemisinin derivatives against liver and ovarian cancers
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 211, 页码: 13
作者:
Zhou, Yu
;
Li, Xiaoguang
;
Chen, Kerong
;
Ba, Qian
;
Zhang, Xu
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  |  
浏览/下载:40/0
  |  
提交时间:2021/05/24
Structural optimization
Lead compound
Artemisinin derivatives
Cancer
Divalent tranylcypromine derivative as lysine-specific demethylase 1 inhibitor
期刊论文
MEDICINAL CHEMISTRY RESEARCH, 2021, 页码: 8
作者:
Sun, Yin
;
Li, Na
;
Su, Mingbo
;
Wang, Xiaowen
;
Zhao, Dongmei
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  |  
浏览/下载:60/0
  |  
提交时间:2021/05/24
Divalent tranylcypromine
LSD1 inhibitor
MV4-11 antiproliferative activity
CD86 mRNA expression
Linker
Selectivity
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: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
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2020
作者:
Li, Shuxiang
;
Zhang, Shuqun
;
Chen, Dingyuan
;
Jiang, Xuan
;
Liu, Bin
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  |  
浏览/下载:18/0
  |  
提交时间:2021/01/05
Computational Insight Into the Small Molecule Intervening PD-L1 Dimerization and the Potential Structure-Activity Relationship
期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 15
作者:
Shi, Danfeng
;
An, Xiaoli
;
Bai, Qifeng
;
Bing, Zhitong
;
Zhou, Shuangyan
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  |  
浏览/下载:24/0
  |  
提交时间:2022/01/19
PD-L1
small-molecule inhibitors
molecular dynamics simulation
metadynamics simulation
R-group QSAR
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:12/0
  |  
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: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
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