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dc.creatorRadošević, Draginja
dc.creatorSenćanski, Milan V.
dc.creatorPerović, Vladimir R.
dc.creatorVeljković, Nevena V.
dc.creatorPrljić, Jelena
dc.creatorVeljković, Veljko
dc.creatorMantlo, Emily
dc.creatorBukreyeva, Natalya
dc.creatorPaessler, Slobodan
dc.creatorGlišić, Sanja
dc.date.accessioned2019-07-09T10:34:39Z
dc.date.available2019-07-09T10:34:39Z
dc.date.issued2019
dc.identifier.issn2235-2988 (print)
dc.identifier.urihttps://www.frontiersin.org/article/10.3389/fcimb.2019.00067/full
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/8163
dc.description.abstractInfluenza A virus (IAV) matrix protein 2 (M2), an ion channel, is crucial for virus infection, and therefore, an important anti-influenza drug target. Adamantanes, also known as M2 channel blockers, are one of the two classes of Food and Drug Administration-approved anti-influenza drugs, although their use was discontinued due to prevalent drug resistance. Fast emergence of resistance to current anti-influenza drugs have raised an urgent need for developing new anti-influenza drugs against resistant forms of circulating viruses. Here we propose a simple theoretical criterion for fast virtual screening of molecular libraries for candidate anti-influenza ion channel inhibitors both for wild type and adamantane-resistant influenza A viruses. After in silico screening of drug space using the EIIP/AQVN filter and further filtering of drugs by ligand based virtual screening and molecular docking we propose the best candidate drugs as potential dual inhibitors of wild type and adamantane-resistant influenza A viruses. Finally, guanethidine, the best ranked drug selected from ligand-based virtual screening, was experimentally tested. The experimental results show measurable anti-influenza activity of guanethidine in cell culture. © 2019 Radosevic, Sencanski, Perovic, Veljkovic, Prljic, Veljkovic, Mantlo, Bukreyeva, Paessler and Glisic.en
dc.language.isoen
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173001/RS//
dc.rightsopenAccess
dc.sourceFrontiers in Cellular and Infection Microbiology
dc.subjectinfluenza Aen
dc.subjectIAV matrix protein 2en
dc.subjectdrug repurposingen
dc.subjectvirtual screeningen
dc.subjectdrug resistanceen
dc.titleVirtual Screen for Repurposing of Drugs for Candidate Influenza a M2 Ion-Channel Inhibitorsen
dc.typearticleen
dc.rights.licenseBY
dcterms.abstractПеровић, Владимир; Радошевић, Драгиња; Вељковић, Невена; Глишић, Сања; Сенћански, Милан В.; Прљић, Јелена; Вељковић, Вељко; Паесслер, Слободан; Букреyева, Наталyа; Мантло, Емилy;
dc.rights.holder© 2019 Radosevic, Sencanski, Perovic, Veljkovic, Prljic, Veljkovic, Mantlo, Bukreyeva, Paessler and Glisic
dc.citation.volume9
dc.citation.issueMAR
dc.identifier.wos000462545200002
dc.identifier.doi10.3389/fcimb.2019.00067
dc.identifier.pmid30972303
dc.type.versionpublishedVersion
dc.identifier.scopus2-s2.0-85064721873
dc.identifier.fulltexthttp://vinar.vin.bg.ac.rs//bitstream/id/11401/fcimb-09-00067.pdf


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