TY  - JOUR
AU  - Perović, Vladimir
AU  - Stevanović, Kristina
AU  - Bukreyeva, Natalya
AU  - Paessler, Slobodan
AU  - Maruyama, Junki
AU  - López-Serrano, Sergi
AU  - Darji, Ayub
AU  - Senćanski, Milan
AU  - Radošević, Draginja
AU  - Berardozzi, Simone
AU  - Botta, Bruno
AU  - Mori, Mattia
AU  - Glišić, Sanja
PY  - 2024
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/13279
AB  - 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
T2  - International Journal of Molecular Sciences
T1  - Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach
VL  - 25
IS  - 9
SP  - 4911
DO  - 10.3390/ijms25094911
ER  - 

@article{
author = "Perović, Vladimir and Stevanović, Kristina and Bukreyeva, Natalya and Paessler, Slobodan and Maruyama, Junki and López-Serrano, Sergi and Darji, Ayub and Senćanski, Milan and Radošević, Draginja and Berardozzi, Simone and Botta, Bruno and Mori, Mattia and Glišić, Sanja",
year = "2024",
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",
journal = "International Journal of Molecular Sciences",
title = "Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach",
volume = "25",
number = "9",
pages = "4911",
doi = "10.3390/ijms25094911"
}

Perović, V., Stevanović, K., Bukreyeva, N., Paessler, S., Maruyama, J., López-Serrano, S., Darji, A., Senćanski, M., Radošević, D., Berardozzi, S., Botta, B., Mori, M.,& Glišić, S.. (2024). Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach. in International Journal of Molecular Sciences, 25(9), 4911.
https://doi.org/10.3390/ijms25094911

Perović V, Stevanović K, Bukreyeva N, Paessler S, Maruyama J, López-Serrano S, Darji A, Senćanski M, Radošević D, Berardozzi S, Botta B, Mori M, Glišić S. Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach. in International Journal of Molecular Sciences. 2024;25(9):4911.
doi:10.3390/ijms25094911 .

Perović, Vladimir, Stevanović, Kristina, Bukreyeva, Natalya, Paessler, Slobodan, Maruyama, Junki, López-Serrano, Sergi, Darji, Ayub, Senćanski, Milan, Radošević, Draginja, Berardozzi, Simone, Botta, Bruno, Mori, Mattia, Glišić, Sanja, "Exploring the Antiviral Potential of Natural Compounds against Influenza: A Combined Computational and Experimental Approach" in International Journal of Molecular Sciences, 25, no. 9 (2024):4911,
https://doi.org/10.3390/ijms25094911 . .