In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling

In Silico Screening of Natural Flavonoids against 3-Chymotrypsin-like Protease of SARS-CoV-2 Using Machine Learning and Molecular Modeling

The “Long-COVID syndrome” has posed significant challenges due to a lack of validated therapeutic options. We developed a novel multi-step virtual screening strategy to reliably identify inhibitors against 3-chymotrypsin-like protease of SARS-CoV-2 from abundant flavonoids, which represents a promis...

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Bibliographic Details
Main Authors: Lianjin Cai, Fengyang Han, Beihong Ji, Xibing He, Luxuan Wang, Taoyu Niu, Jingchen Zhai, Junmei Wang
Format: Article
Language:English
Published: MDPI AG 2023-12-01
Series:Molecules
Subjects:
3-chyomotrypsin-like protease (3CL-pro)
main protease (M-pro)
SARS-CoV-2
long-COVID
flavonoids
molecular modeling
Online Access:https://www.mdpi.com/1420-3049/28/24/8034

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