Theoretical investigation of favipiravir antiviral drug based on fullerene and boron nitride nanocages.

ABSTRACT: Smart implementation of novel advanced nanocarriers such as functionalized C₂₄ and B₁₂N₁₂ nanocages is used supplement for antiviral activity 5-Fluoro-2-hydroxypyrazine-3-carboxamide (Favipiravir; Avigan; T-705), as treatment of COVID-19. The interaction energies of Favipiravir with perfect (B₁₂N₁₂ and C₂₄) and doped (BC₂₃ and CB₁₁N₁₂) nanocages were studied at temperatures equal to 310.15 K and 298.15 K using DFT. Our results have shown that the interaction of the Favipiravir (C[bond, double bond]O group) with BC₂₃ and CB₁₁N₁₂ is more favorable than with the C₂₄ and B₁₂N₁₂ nanocages in the gas and aqueous environments. Additio

SUBMITTER: Soliman KA 

PROVIDER: S-EPMC8123382 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature