Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV‑2 Nonstructural Protein Inhibitors

Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV‑2 Nonstructural Protein Inhibitors

The COVID-19 pandemic, exacerbated by persistent viral mutations, underscored the urgent need for diverse inhibitors targeting multiple viral proteins. In this study, we utilized covalent DNA-encoded libraries to discover innovative triazine-based covalent inhibitors for the 3-chymotrypsin-like prot...

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Bibliographic Details
Main Author: Xudong Wang (286395) (author)
Other Authors: Liwei Xiong (4039046) (author), Ying Zhu (90057) (author), Sixiu Liu (1956634) (author), Wenfeng Zhao (1405294) (author), Xinyuan Wu (1593211) (author), Mengnisa Seydimemet (11608251) (author), Linjie Li (1825774) (author), Peiqi Ding (20312533) (author), Xian Lin (273406) (author), Jiaxiang Liu (3876697) (author), Xuan Wang (55634) (author), Zhiqiang Duan (305816) (author), Weiwei Lu (772576) (author), Yanrui Suo (13250682) (author), Mengqing Cui (17728414) (author), Jinfeng Yue (14820949) (author), Rui Jin (105103) (author), Mingyue Zheng (180908) (author), Yechun Xu (43593) (author), Lianghe Mei (8368473) (author), Hangchen Hu (6159950) (author), Xiaojie Lu (1317612) (author)
Published: 2024
Subjects:
Biophysics
Biochemistry
Medicine
Pharmacology
Cancer
Infectious Diseases
Virology
Chemical Sciences not elsewhere classified
represent promising candidates
ray cocrystal structure
potential binding mode
persistent viral mutations
nonstructural protein 12
medicinal chemistry led
discover innovative triazine
nucleoside covalent inhibitors
based covalent inhibitors
molecular dynamics revealed
2 antiviral therapies
xj5 </ b
xd5 </ b
utilized covalent dna
pro </ sup
50 </ sub
covalent dna
molecular docking
urgent need
target validation
rdrp ).
like protease
encoded libraries
catalytic pocket
active site
34 μm
2 pl
19 pandemic
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