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dc.creatorOdović, Jadranka
dc.creatorTrbojević, Jovana B.
dc.creatorTrbojević-Stanković, Jasna
dc.creatorNešić, Dejan M.
dc.creatorJelić, Ratomir
dc.date.accessioned2019-09-02T12:00:04Z
dc.date.available2019-09-02T12:00:04Z
dc.date.issued2017
dc.identifier.issn0354-4664
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/2904
dc.description.abstractIn this study we investigated the relationship between the calcium channel blockers (CCBs), amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem, and their calculated molecular descriptors: polar surface area (PSA), molecular weight (Mw), volume value (Vol), aqueous solubility data (logS), lipophilicity (logP), acidity (pKa values) and plasma protein binding (PPB) data, obtained from relevant literature. The relationships between the computed molecular properties of selected CCBs and their PPB data were investigated by simple linear regression analysis that revealed very low correlations (R2 lt 0.35). When multiple linear regression (MLR) analysis was applied to investigate reliable correlations between the CCBs' calculated molecular descriptors and PPB data, the best correlations were found for the relationships between CCBs, and PPB data and lipophilicity, and with application of the molecular descriptor (Mw, Vol, or pKa) data as additional independent variables (R2=0.623; R2=0.741; R2=0.657, respectively), with an acceptable probability value (P lt 0.05), confirming that lipophilicity, together with other molecular properties, are essential for the drugs' PPB. We conclude that this could be considered as an additional in vitro approach for modeling CCBs.en
dc.publisherSrpsko biološko društvo, Beograd, i dr.
dc.relationinfo:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/34031/RS//
dc.rightsopenAccess
dc.sourceArchives of Biological Sciences
dc.titleAssessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding dataen
dc.typearticle
dc.rights.licenseBY-NC-ND
dcterms.abstractОдовић, Јадранка; Нешић, Дејан М.; Јелић, Ратомир; Трбојевић-Станковић, Јасна; Трбојевић, Јована Б.;
dc.citation.volume69
dc.citation.issue1
dc.citation.spage175
dc.citation.epage179
dc.citation.other69(1): 175-179
dc.citation.rankM23
dc.identifier.wos000396702900019
dc.identifier.doi10.2298/ABS160609094O
dc.identifier.scopus2-s2.0-85014995413
dc.identifier.fulltexthttp://farfar.pharmacy.bg.ac.rs//bitstream/id/1522/2902.pdf
dc.identifier.rcubconv_3788
dc.type.versionpublishedVersion


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