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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Pensoft Publishers
2024-01-01
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| Series: | Pharmacia |
| Online Access: | https://pharmacia.pensoft.net/article/114967/download/pdf/ |