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Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [13]
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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:6/0
  |  
提交时间:2025/01/06
Isotopic insights and integrated analysis for heavy metal levels, ecological risks, and source apportionment in river sediments of the Qinghai-Tibet Plateau
期刊论文
OAI收割
ENVIRONMENTAL RESEARCH, 2024, 卷号: 251, 页码: 118626
作者:
Cai, Na
;
Wang, Xueping
;
Zhu, Haixia
;
Hu, Yan
;
Zhang, Xiying
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2024/06/17
Heavy metals
Sediment
Qinghai -Tibet plateau (QTP)
Potential ecological risk
Sources
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:35/0
  |  
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
Discovery, synthesis and mechanism study of 2,3,5-substituted [1,2,4]-thiadiazoles as covalent inhibitors targeting 3C-Like protease of SARS-CoV-2
期刊论文
OAI收割
European journal of medicinal chemistry, 2023, 卷号: 249, 页码: 115129
作者:
Ren, Pengxuan
;
Yu, Changyue
;
Zhang, Ruxue
;
Nie, Tianqing
;
Hu, Qiaoyu
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2024/03/26
Spatiotemporal and global profiling of DNA-protein interactions enables discovery of low-affinity transcription factors
期刊论文
OAI收割
NATURE CHEMISTRY, 2023, 页码: 18
作者:
Guo, An-Di
;
Yan, Ke-Nian
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/10/17
Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines
期刊论文
OAI收割
BIOCHEMICAL PHARMACOLOGY, 2023, 卷号: 207, 页码: 16
作者:
Gao, Jing
;
Zhou, Chen
;
Zhong, Yan
;
Shi, Li
;
Luo, Xuanyang
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2023/04/10
HSP90
ATP competitive inhibitors
Tip-based affinity selection-mass spectrometry
Dipyridamole
Cell cycle regulators
In vitro and in vivo evaluation of the main protease inhibitor FB2001 against SARS-CoV-2
期刊论文
OAI收割
ANTIVIRAL RESEARCH, 2022, 卷号: 208, 页码: 10
作者:
Shang, Weijuan
;
Dai, Wenhao
;
Yao, Cheng
;
Xu, Ling
;
Tao, Xiangming
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/04/10
SARS-CoV-2
SARS-CoV-2 variants
FB2001
Main protease
PBPK
Anti-SARS-CoV-2 in vivo
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:26/0
  |  
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:39/0
  |  
提交时间:2022/11/11
Zika virus
Fragment -based hit screening
Protein -inhibitor interactions
NS2B
NS3 protease
Crystal structure