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Unveiling the mechanism of action of a novel natural dual inhibitor of SARS-CoV-2 Mpro and PLpro with molecular dynamics simulations

Abstract In the twenty-first century, we have witnessed multiple coronavirus pandemics. Despite declining SARS-CoV-2 cases, continued research remains vital. We report the discovery of sydowiol B, a natural product, as a dual inhibitor of SARS-CoV-2 main protease (Mpro) and papain-like protease (PLp...

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Principais autores: Xiaoxia Gu, Xiaotian Zhang, Xueke Zhang, Xinyu Wang, Weiguang Sun, Yonghui Zhang, Zhengxi Hu
Format: Artigo
Sprog:Inglês
Udgivet: SpringerOpen 2025-01-01
Serier:Natural Products and Bioprospecting
Fag:
SARS-CoV-2
PLpro
Mpro
Natural product
Dual inhibitor
Nano-channel
Online adgang:https://doi.org/10.1007/s13659-024-00486-4
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