Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
- Haixia Su
- Sheng Yao
- Wenfeng Zhao
- Yumin Zhang
- Jia Liu
- Qiang Shao
- Qingxing Wang
- Minjun Li
- Hang Xie
- Weijuan Shang
- Changqiang Ke
- Lu Feng
- Xiangrui Jiang
- Jingshan Shen
- Gengfu Xiao
- Hualiang Jiang
- Leike Zhang
- Yang Ye
- Yechun Xu
Publication date
June 2021
DOI Publisher
Springer Science and Business Media LLC Journal
Nature CommunicationsAbstract
SARS-CoV-2 3CL protease (3CLpro) is essential for coronavirus replication and of great interest as an antiviral drug target. Here, the authors show that the naturally occurring flavonoid myricetin is a non-peptidomimetic and covalent inhibitor of 3CLpro, and they solve crystal structures of 3CLpro with myricetin and derivatives, which reveal that the pyrogallol group covalently modifies the catalytic cysteine
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