Author: Haixia Su; Sheng Yao; Wenfeng Zhao; Minjun Li; Jia Liu; Weijuan Shang; Hang Xie; Changqiang Ke; Meina Gao; Kunqian Yu; Hong Liu; Jingshan Shen; Wei Tang; Leike Zhang; Jianping Zuo; Hualiang Jiang; Fang Bai; Yan Wu; Yang Ye; Yechun Xu
Title: Discovery of baicalin and baicalein as novel, natural product inhibitors of SARS-CoV-2 3CL protease in vitro Document date: 2020_4_14
ID: ixun0c8g_2
Snippet: (Qinghao), is a milestone in the treatment of malaria. TCMs as well as purified natural products also provide a rich resource for novel antiviral drug development. Several herbal medicines and natural products have shown antiviral activities against viral pathogens (8) (9) (10) (11) . Among these, the roots of Scutellaria baicalensis Georgi (Huangqin in Chinese) are frequently used in TCM for the prophylaxis and treatment of hepatitis and respira.....
Document: (Qinghao), is a milestone in the treatment of malaria. TCMs as well as purified natural products also provide a rich resource for novel antiviral drug development. Several herbal medicines and natural products have shown antiviral activities against viral pathogens (8) (9) (10) (11) . Among these, the roots of Scutellaria baicalensis Georgi (Huangqin in Chinese) are frequently used in TCM for the prophylaxis and treatment of hepatitis and respiratory disorders (12) (13) (14) . In the present study, an enzymatic assay was performed to test if the ingredients isolated from S. baicalensis are inhibitors of SARS-CoV-2 3CLpro. As a result, baicalin and baicalein, two bioactive components from S. baicalensis, are identified as novel inhibitors of SARS-CoV-2 3CLpro with an antiviral activity in the SARS-CoV-2 infected cells. A crystal structure of SARS-CoV-2 3CLpro in complex with baicalein, the first non-covalent, non-peptidomimetic small-molecule inhibitor, was also determined, revealing a unique binding mode of this natural product with the protease.
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