Influenza a virus inhibition: evaluating computationally identified cyproheptadine through in vitro assessment
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- dc.contributor.author Glisic, Sanja
- dc.contributor.author Stevanovic, Kristina
- dc.contributor.author Perdih, Andrej
- dc.contributor.author Bukreyeva, Natalya
- dc.contributor.author Maruyama, Junki
- dc.contributor.author Perovic, Vladimir
- dc.contributor.author López-Serrano, Sergi
- dc.contributor.author Darji, Ayub
- dc.contributor.author Radosevic, Draginja
- dc.contributor.author Sencanski, Milan
- dc.contributor.author Veljkovic, Veljko
- dc.contributor.author Botta, Bruno
- dc.contributor.author Mori, Mattia
- dc.contributor.author Paessler, Slobodan
- dc.date.accessioned 2025-09-08T10:50:21Z
- dc.date.available 2025-09-08T10:50:21Z
- dc.date.issued 2025
- dc.description.abstract Influenza is still a chronic global health threat, inducing a sustained search for effective antiviral therapeutics. Computational methods have played a pivotal role in developing small molecule therapeutics. In this study, we applied a combined in silico and in vitro approach to explore the potential anti-influenza activity of cyproheptadine, a clinically used histamine H1 receptor antagonist. Virtual screening based on the average quasivalence number (AQVN) and electron–ion interaction potential (EIIP) descriptors suggests similarities between cyproheptadine and several established anti-influenza agents. The subsequent ligand-based pharmacophore screening of a focused H1 antagonist library was aligned with the bioinformatics prediction, and further experimental in vitro evaluation of cyproheptadine demonstrated its anti-influenza activity. These findings provide proof of concept for cyproheptadine’s in silico-predicted antiviral potential and underscore the value of integrating computational predictions with experimental validation. The results of the current study provide a preliminary proof of concept for the predicted anti-influenza potential based on computational analysis and emphasize the utility of integrating in silico screening with experimental validation in the early stages of drug repurposing efforts.en
- dc.format.mimetype application/pdf
- dc.identifier.citation Glisic S, Stevanovic K, Perdih A, Bukreyeva N, Maruyama J, Perovic V, et al. Influenza a virus inhibition: evaluating computationally identified cyproheptadine through in vitro assessment. Int J Mol Sci. 2025 Jul;26(13):5962. DOI: 10.3390/ijms26135962
- dc.identifier.doi http://dx.doi.org/10.3390/ijms26135962
- dc.identifier.issn 1422-0067
- dc.identifier.uri http://hdl.handle.net/10230/71145
- dc.language.iso eng
- dc.publisher MDPI
- dc.relation.ispartof International Journal of Molecular Sciences. 2025 Jul;26(13):5962
- dc.rights © 2025 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
- dc.rights.accessRights info:eu-repo/semantics/openAccess
- dc.rights.uri http://creativecommons.org/licenses/by/4.0/
- dc.subject.keyword Antiviralen
- dc.subject.keyword Cyproheptadineen
- dc.subject.keyword Influenzaen
- dc.subject.keyword Drug resistanceen
- dc.subject.keyword Virtual screeningen
- dc.title Influenza a virus inhibition: evaluating computationally identified cyproheptadine through in vitro assessmenten
- dc.type info:eu-repo/semantics/article
- dc.type.version info:eu-repo/semantics/publishedVersion