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Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction
期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12
作者:
Xiong, Jiacheng
;
Xiang, Yusen
;
Huang, Ziming
;
Liu, Xiaohong
;
Wang, Mengge
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/12/01
SARS-CoV-2
angiotensin-converting enzyme 2 (ACE2)
spike protein receptor-binding domain (S-RBD)
structure-based virtual screening
protein-protein interaction (PPI) inhibitors
Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening
期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 7, 页码: 14
作者:
Zhou, Qingtong
;
Guo, Wanjing
;
Dai, Antao
;
Cai, Xiaoqing
;
Vass, Marton
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  |  
浏览/下载:38/0
  |  
提交时间:2021/08/17
GLP-1R
virtual screening
allosteric modulator
drug discovery
molecular docking
Identification of novel anti-inflammatory Nur77 modulators by virtual screening
期刊论文
BIOORGANIC CHEMISTRY, 2021, 卷号: 112, 页码: 7
作者:
Ding, Xiaoyu
;
Zhao, Zijie
;
Wu, Yue
;
Zhang, Hao
;
Chen, Kaixian
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2021/08/17
Nur77
Binding site evaluation
Virtual Screening
Inflammation
Discovery of New alpha-Glucosidase Inhibitors: Structure-Based Virtual Screening and Biological Evaluation
期刊论文
FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 9
作者:
Liu, Shan-Kui
;
Hao, Haifang
;
Bian, Yuan
;
Ge, Yong-Xi
;
Lu, Shengyuan
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  |  
浏览/下载:58/0
  |  
提交时间:2021/05/24
α
-glycosidase
virtual screening
cytotoxicity
type 2 diabetes
molecular docking
Ligand-based approach for predicting drug targets and for virtual screening against COVID-19
期刊论文
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 2, 页码: 1053-1064
作者:
Yang, Yanqing
;
Zhu, Zhengdan
;
Wang, Xiaoyu
;
Zhang, Xinben
;
Mu, Kaijie
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  |  
浏览/下载:25/0
  |  
提交时间:2021/11/16
D3Similarity
COVID-19
target prediction
database
virtual screening
Discovery of 2-(5-(quinolin-6-yl)-1,3,4-oxadiazol-2-yl)acetamide derivatives as novel PI3K alpha inhibitors via docking-based virtual screening
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY, 2021, 卷号: 29, 页码: 9
作者:
Gu, Dongyan
;
Cheng, Gang
;
Zhang, Mengmeng
;
Zhou, Yu-Bo
;
Li, Jia
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2021/05/24
PI3K alpha inhibitors
Virtual screening
2-(5-(quinolin-6-yl)-1,3,4 oxadiazol-2-yl)acetamide
Molecular dynamics
Discovery of Novel IDH1 Inhibitor Through Comparative Structure-Based Virtual Screening
期刊论文
FRONTIERS IN PHARMACOLOGY, 2020, 卷号: 11, 页码: 11
作者:
Wang, Yuwei
;
Tang, Shuai
;
Lai, Huanling
;
Jin, Ruyi
;
Long, Xu
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  |  
浏览/下载:48/0
  |  
提交时间:2020/12/24
IDH1
gliomas
molecular docking
virtual screening
docking-based virtual screening
D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19
期刊论文
ACTA PHARMACEUTICA SINICA B, 2020, 卷号: 10, 期号: 7, 页码: 1239-1248
作者:
Shi, Yulong
;
Zhang, Xinben
;
Mu, Kaijie
;
Peng, Cheng
;
Zhu, Zhengdan
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2020/12/24
COVID-19
SARS-CoV-2
Target prediction
Multi-conformation
Multi-site
Docking
D3Targets-2019-nCoV
Discovery of triazoloquinoxaline as novel STING agonists via structure-based virtual screening
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 100, 页码: 8
作者:
Hou, Hui
;
Yang, Ruirui
;
Liu, Xiaohong
;
Wu, Xiaolong
;
Zhang, Sulin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2020/12/24
In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 卷号: 60, 期号: 6, 页码: 3265-3276
作者:
Zhao, Wenfeng
;
Xiong, Muya
;
Yuan, Xiaojing
;
Li, Minjun
;
Sun, Hongbin
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  |  
浏览/下载:17/0
  |  
提交时间:2020/12/24
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