Comparative Study of Molecular Docking, Structural, Electronic, and Fukui Function Studies on Favipiravir and its Newly Designed Derivatives (Potential Inhibitors) for COVID‐19 Protease

Favipiravir is an antiviral medication currently being trialed as a COVID‐19 treatment. These results motivate us to develop new species (possibly drugs) from favipiravir, perform comparative molecular docking, and reexamine their biological and pharmacological activities. Detailed quantum chemical...

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Veröffentlicht in:	Macromolecular symposia. 2023-02, Vol.407 (1), p.n/a
Hauptverfasser:	Pandey, Anoop Kumar, Singh, Vijay, Dwivedi, Apoorva
Format:	Artikel
Sprache:	eng
Schlagworte:	Antiviral agents antiviral drug Comparative studies COVID-19 density functional theory Electronegativity Favipiravir and its newly designed derivatives Molecular docking Molecular orbitals New species novel influenza drug Protease Protease inhibitors Proteinase inhibitors Quantum chemistry Softness Vibration analysis
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