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


	Number of HBs and RMSD between N1-H274Y-oseltamivir protein (PDB ID: 3CL0) with three flavones 428, 581, and 864 (Fig. A–C, respectively) during dynamic simulation time 500 ns.

Part of: Ha T-K-Q, Pham-Khanh N-H, Nguyen T-K (2024) Molecular docking screening, dynamics simulations, ADMET, and semi-synthesis prediction of flavones and flavonols from the COCONUT database as potent bifunctional neuraminidase inhibitors. Pharmacia 71: 1-10. https://doi.org/10.3897/pharmacia.71.e114967