Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach.

ABSTRACT: The influenza A virus nonstructural protein 1 (NS1), which is crucial for viral replication and immune evasion, has been identified as a significant drug target with substantial potential to contribute to the fight against influenza. The emergence of drug-resistant influenza A virus strains highlights the urgent need for novel therapeutics. This study proposes a combined theoretical criterion for the virtual screening of molecular libraries to identify candidate NS1 inhibitors. By applying the criterion to the ZINC Natural Product database, followed by ligand-based virtual screening and molecular docking, we proposed the most promising candidate as a potential NS1 inhibitor. Subsequently, the selected natural compound was experimentally evaluated, revealing measurable virus replication inh

SUBMITTER: Perovic V 

PROVIDER: S-EPMC11084791 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature