Discovery of novel cGAS inhibitors based on natural flavonoids

Jiameng Li,Muya Xiong,Jiayuan Liu, Fengping Zhang,Minjun Li,Wenfeng Zhao,Yechun Xu

Bioorganic chemistry（2023）

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摘要

•Baicalein and baicalin were identified as new inhibitors of cGAS.•Crystal structures determination revealed different binding modes of baicalein and baicalin to cGAS.•A more potent cGAS inhibitor was yielded through virtual screening based on the crystal structures of cGAS in complex with the flavonoids.

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关键词

Cyclic GMP-AMP synthase,Inhibitor,Flavonoids,Crystal structure,Virtual screening

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