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科研机构
上海药物研究所 [59]
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期刊论文 [58]
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Discovery of potential small molecular SARS-CoV-2 entry blockers targeting the spike protein
期刊论文
ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9
作者:
Wang, Lin
;
Wu, Yan
;
Yao, Sheng
;
Ge, Huan
;
Zhu, Ya
收藏
  |  
浏览/下载:86/0
  |  
提交时间:2021/11/04
SARS-CoV-2
natural products
virtual screening
spike protein
protein-protein interaction modulators
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
期刊论文
NATURE COMMUNICATIONS, 2021, 卷号: 12, 期号: 1, 页码: 12
作者:
Su, Haixia
;
Yao, Sheng
;
Zhao, Wenfeng
;
Zhang, Yumin
;
Liu, Jia
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2021/08/17
SARS-CoV-2 envelope protein causes acute respiratory distress syndrome (ARDS)-like pathological damages and constitutes an antiviral target
期刊论文
CELL RESEARCH, 2021, 页码: 14
作者:
Xia, Bingqing
;
Shen, Xurui
;
He, Yang
;
Pan, Xiaoyan
;
Liu, Feng-Liang
收藏
  |  
浏览/下载:78/0
  |  
提交时间:2021/08/17
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
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/11/16
D3Similarity
COVID-19
target prediction
database
virtual screening
RNA-dependent RNA polymerase: Structure, mechanism, and drug discovery for COVID-19
期刊论文
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2021, 卷号: 538, 页码: 47-53
作者:
Jiang, Yi
;
Yin, Wanchao
;
Xu, H. Eric
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  |  
浏览/下载:32/0
  |  
提交时间:2021/05/24
COVID-19
SARS-CoV-2
RNA-dependent RNA polymerase
Structure
RNA recognition
Remdesivir
What coronavirus 3C-like protease tells us: From structure, substrate selectivity, to inhibitor design
期刊论文
MEDICINAL RESEARCH REVIEWS, 2021, 页码: 34
作者:
Xiong, Muya
;
Su, Haixia
;
Zhao, Wenfeng
;
Xie, Hang
;
Shao, Qiang
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2021/05/24
3C-like protease
binding modes
coronavirus
inhibitors
structure and function
Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs
期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 卷号: 117, 期号: 44, 页码: 27381-27387
作者:
Li, Zhe
;
Li, Xin
;
Huang, Yi-You
;
Wu, Yaoxing
;
Liu, Runduo
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  |  
浏览/下载:74/0
  |  
提交时间:2020/12/24
virtual screening
SARS-CoV-2
drug repurposing
free energy perturbation
main protease
SARS-CoV-2 and Three Related Coronaviruses Utilize Multipke ACE2 Orthologs and Are Potently Blocked by an Improved ACE2-Ig
期刊论文
JOURNAL OF VIROLOGY, 2020, 卷号: 94, 期号: 22, 页码: 14
作者:
Li, Yujun
;
Wang, Haimin
;
Tang, Xiaojuan
;
Fang, Shisong
;
Ma, Danting
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/12/21
ACE2
ACE2-Ig
SARS-CoV-2
entry inhibitor
host range
Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients
期刊论文
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:
Su, Hai-xia
;
Yao, Sheng
;
Zhao, Wen-feng
;
Li, Min-jun
;
Liu, Jia
收藏
  |  
浏览/下载:115/0
  |  
提交时间:2020/12/24
SARS-CoV-2
3CL protease
traditional Chinese medicines
Shuanghuanglian oral liquid
baicalin
baicalein
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
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