Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach
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Author
Perovic, Vladimir
Stevanovic, Kristina
Bukreyeva, Natalya
Paessler, Slobodan
Maruyama, Junki
Sencanski, Milan
Radosevic, Draginja
Berardozzi, Simone
Botta, Bruno
Mori, Mattia
Glisic, Sanja
Publication date
2024-04-30ISSN
1661-6596
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.
Document Type
Article
Document version
Published version
Language
English
Subject (CDU)
619 - Veterinary science
Pages
15
Publisher
MDPI
Is part of
International Journal of Molecular Sciences
Citation
Perovic, Vladimir, Kristina Stevanovic, Natalya Bukreyeva, Slobodan Paessler, Junki Maruyama, Sergi López-Serrano, Ayub Darji, et al. 2024. “Exploring the Antiviral Potential of Natural Compounds Against Influenza: A Combined Computational and Experimental Approach.” International Journal of Molecular Sciences 25 (9): 4911. https://doi.org/10.3390/ijms25094911.
Program
Sanitat Animal
This item appears in the following Collection(s)
- ARTICLES CIENTÍFICS [2838]
Except where otherwise noted, this item's license is described as http://creativecommons.org/licenses/by/4.0/