中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [10]
采集方式
OAI收割 [10]
内容类型
期刊论文 [10]
发表日期
2024 [3]
2023 [3]
2022 [2]
2020 [1]
2019 [1]
学科主题
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Potency Prediction of Covalent Inhibitors against SARS-CoV-2 3CL-like Protease and Multiple Mutants by Multiscale Simulations
期刊论文
OAI收割
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 卷号: 64, 期号: 24, 页码: 9501-9516
作者:
Xiong, Muya
;
Nie, Tianqing
;
Li, Zhewen
;
Hu, Meiyi
;
Su, Haixia
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2025/01/06
Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV-2 Nonstructural Protein Inhibitors
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 页码: 14
作者:
Wang, Xudong
;
Xiong, Liwei
;
Zhu, Ying
;
Liu, Sixiu
;
Zhao, Wenfeng
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/12/25
Chemical Space Profiling of SARS-CoV-2 PL
pro
Using DNA-Encoded Focused Libraries
期刊论文
OAI收割
ACS MEDICINAL CHEMISTRY LETTERS, 2024, 页码: 10
作者:
Wang, Xudong
;
Zhu, Ying
;
Zhao, Qingyi
;
Lu, Weiwei
;
Xu, Yechun
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/05/07
DNA-Encoded Focused Libraries (DEFLs)
SARS-CoV-2
Papain-like Protease
Library Design
ProteinInhibitors
Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1H)-one Focused DNA-Encoded Library
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 15
作者:
Wen, Xin
;
Zhang, Minmin
;
Duan, Zhiqiang
;
Suo, Yanrui
;
Lu, Weiwei
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2023/10/17
Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2023, 卷号: 24, 期号: 10, 页码: 15
作者:
Wang, Qian
;
Chen, Guofeng
;
He, Jian
;
Li, Jiameng
;
Xiong, Muya
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2023/10/17
SARS-CoV-2
papain-like protease
covalent inhibitor
co-crystal structure
in vitro assay
Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational approaches
期刊论文
OAI收割
CHEMICAL SCIENCE, 2023, 卷号: 14, 期号: 18, 页码: 4681-4696
作者:
Shao, Qiang
;
Xiong, Muya
;
Li, Jiameng
;
Hu, Hangchen
;
Su, Haixia
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2024/03/27
Identification of Cysteine 270 as a Novel Site for Allosteric Modulators of SARS-CoV-2 Papain-Like Protease
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2022, 页码: 10
作者:
Hu, Hangchen
;
Wang, Qian
;
Su, Haixia
;
Shao, Qiang
;
Zhao, Wenfeng
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/04/10
Allosteric Modulator
Cysteine 270
Drug Design
Papain-Like Protease
SARS-CoV-2
Structure-based design of a novel inhibitor of the ZIKA virus NS2B/ NS3 protease
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2022, 卷号: 128, 页码: 7
作者:
Xiong, Yanchao
;
Cheng, Fei
;
Zhang, Junyi
;
Su, Haixia
;
Hu, Hangchen
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/11/11
Zika virus
Fragment -based hit screening
Protein -inhibitor interactions
NS2B
NS3 protease
Crystal structure
Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 13, 页码: 7052-7065
作者:
Huang, Fubao
;
Hu, Hangchen
;
Wang, Kai
;
Peng, Chengyuan
;
Xu, Wenwei
  |  
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2020/12/24
Structure-Based Survey of the Binding Modes of BACE1 Inhibitors
期刊论文
OAI收割
ACS CHEMICAL NEUROSCIENCE, 2019, 卷号: 10, 期号: 2, 页码: 880-889
作者:
Hu, Hangchen
;
Chen, Zhaoqiang
;
Xu, Xiang
;
Xuo, Yechun
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/07/01
BACE1
Alzheimer's disease
inhibitor
ligand binding mode
subsite
substructure