Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors

Finding new neuraminidase (N) inhibitors to improve anti-influenza treatment is necessary because of the high mutation rates of N protein. Over 3,000 flavones/flavonols and their synthesized products from the COCONUT database were performed in silico docking screening with N1-H274Y-oseltamivir prote...

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Main Authors: Thi- (Author), Nguyen-Hua (Author), Thanh-Khiet Nguyen (Author)
Format: Book
Published: Pensoft Publishers, 2024-01-01T00:00:00Z.
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3rd Floor Main Library

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Call Number: A1234.567
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