Quantitative structure-activity relationship modelling of influenza М2 ion channels inhibitors

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creativework.keywordsAdamantine derivatives, Amantadine, Amino acids, Molecular simplex, QSAR study, Rimantadine
creativework.publisherSerbian Chemical Societyen
dc.contributor.authorStankova I.G.
dc.contributor.authorChayrov R.L.
dc.contributor.authorSchmidtke M.
dc.contributor.authorDanalev D.L.
dc.contributor.authorOgnichenko L.N.
dc.contributor.authorArtemenko A.G.
dc.contributor.authorShapkin V.A.
dc.contributor.authorKuz V.E.
dc.date.accessioned2024-07-10T14:27:05Z
dc.date.accessioned2024-07-10T14:50:03Z
dc.date.available2024-07-10T14:27:05Z
dc.date.available2024-07-10T14:50:03Z
dc.date.issued2021-08-01
dc.description.abstractA series of adamantane derivatives (rimantadine and amantadine) incorporating amino-acid residues are investigated by simplex representation of molecular structure (SiRMS) approach in order to found correlation between chemical structures of investigated compounds and obtained data for antiviral activity and cytotoxicity. The obtained data from QSAR analysis show that adamantane derivatives containing amino acids with short aliphatic non-polar residues in the lateral chain will have good antiviral activity against the tested virus A/H3N2, strain Hong Kong/68 with low cytotoxicity. QSAR experiments and in vitro data also show good correlation and reveal that modified adamantine derivatives including guanidated in the lateral chain amino acid and β-amino acids as substituents show low to none activity.
dc.identifier.doi10.2298/JSC200509036S
dc.identifier.issn1820-7421
dc.identifier.issn0352-5139
dc.identifier.scopusSCOPUS_ID:85113765354en
dc.identifier.urihttps://rlib.uctm.edu/handle/123456789/669
dc.language.isoen
dc.source.urihttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85113765354&origin=inward
dc.titleQuantitative structure-activity relationship modelling of influenza М2 ion channels inhibitors
dc.typeArticle
oaire.citation.issue7-8
oaire.citation.volume86
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