Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach.
Int J Mol Sci
; 25(9)2024 Apr 30.
Article
en En
| MEDLINE
| ID: mdl-38732151
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 inhibition activity in cell culture. This approach offers a promising avenue for developing novel anti-influenza agents targeting the NS1 protein.
Palabras clave
Texto completo:
1
Banco de datos:
MEDLINE
Asunto principal:
Antivirales
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Replicación Viral
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Productos Biológicos
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Proteínas no Estructurales Virales
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Simulación del Acoplamiento Molecular
Límite:
Animals
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Humans
Idioma:
En
Año:
2024
Tipo del documento:
Article