Repurposing of the nucleoside analogs for influenza.

ABSTRACT: Influenza viruses remain a global health concern prompting the search for new antivirals. Drug repurposing offers an efficient approach to identify potential therapeutics. This study repurposed 35 FDA-approved nucleoside analogs, screening them against influenza H1N1. Seven compounds exhibited significant antiviral activity, with cytidine analogs Gemcitabine (IC₅₀ = 0.64 ± 0.21 µM) and 5-Azacytidine (IC₅₀ = 3.42 ± 0.38 µM) showing the strongest inhibition. Molecular dynamics simulations showed that key binding site residues (Arg45, Lys229, Arg239, Lys308, Lys480) and a magnesium ion are crucial for drug binding. Stable hydrogen bonds between active analogs and specific residues (Arg239, Thr307, Asn310), along with significant interactions with RNA complementary bases, are associated with a

SUBMITTER: Mee-Udorn P 

PROVIDER: S-EPMC12447893 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature