Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
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 w...
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Nature Portfolio
2021
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oai:doaj.org-article:ff68234682c746f3aa209aef3785fbf82021-12-02T16:04:21ZIdentification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease10.1038/s41467-021-23751-32041-1723https://doaj.org/article/ff68234682c746f3aa209aef3785fbf82021-06-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-23751-3https://doaj.org/toc/2041-1723SARS-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.Haixia SuSheng YaoWenfeng ZhaoYumin ZhangJia LiuQiang ShaoQingxing WangMinjun LiHang XieWeijuan ShangChangqiang KeLu FengXiangrui JiangJingshan ShenGengfu XiaoHualiang JiangLeike ZhangYang YeYechun XuNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-12 (2021) |
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DOAJ |
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| topic |
Science Q |
| spellingShingle |
Science Q 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 Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| description |
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. |
| format |
article |
| author |
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 |
| author_facet |
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 |
| author_sort |
Haixia Su |
| title |
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| title_short |
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| title_full |
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| title_fullStr |
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| title_full_unstemmed |
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease |
| title_sort |
identification of pyrogallol as a warhead in design of covalent inhibitors for the sars-cov-2 3cl protease |
| publisher |
Nature Portfolio |
| publishDate |
2021 |
| url |
https://doaj.org/article/ff68234682c746f3aa209aef3785fbf8 |
| work_keys_str_mv |
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