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dc.creatorVidović, Dunja
dc.creatorMilošević, Nataša
dc.creatorPavlović, Nebojša
dc.creatorTodorović, Nemanja
dc.creatorPanić Čanji, Jelena
dc.creatorĆurčić, Jelena
dc.creatorBanjac, Nebojša
dc.creatorTrišović, Nemanja
dc.creatorBožić, Bojan
dc.creatorLalić-Popović, Mladena
dc.date.accessioned2022-06-09T11:46:12Z
dc.date.available2022-06-09T11:46:12Z
dc.date.issued2022
dc.identifier.issn0269-3879
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/5150
dc.description.abstractPassive permeability is one of the key features that determine absorbability and one of the most studied properties in the early phases of drug development. Newly synthesized succinimide derivatives from two different series (1-aryl-3-methylsuccinimides and 1-aryl-3-ethyl-3-methylsuccinimides) with high biological potential have been subjected to estimation of their passive permeability and their association with (a) experimentally obtained anisotropic lipophilicity, (b) in silico–calculated lipophilicity and (c) in silico–predicted permeability and absorbability. Non-cellular-based parallel artificial membrane permeability assay was applied for quantifying their passive permeation, expressed as logPapp. Passive permeation was governed by the lipophilicity of the analysed compounds, and anisotropic lipophilicity was related with statistically significant passive transcellular diffusion (r2 = 0.614, P < 0.001). Moreover, experimentally determined passive permeability, logPapp, was statistically significantly associated with both in silico–predicted absorption constant, ka (r2 = 0.7886, P < 0.001), and human intestinal absorption (HIA) in percentage (r2 = 0.484, P < 0.001), respectively. However, there was no statistically significant relationship between experimentally obtained permeability on non-cellular-based model and in silico–predicted Caco-2 permeability based on the predictions conducted on two different software. Based on the obtained results, anisotropic systems are promising surrogates for determining lipophilicity, except for compounds with acidic functional groups that are completely ionized under (pH = 7.4).
dc.languageEnglish
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200114/RS//
dc.rightsrestrictedAccess
dc.sourceBiomedical Chromatography
dc.subjectchromatography
dc.subjectin silico
dc.subjectlipophilicity
dc.subjectparallel artificial membrane permeability assay
dc.titleIn silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay
dc.typearticleen
dc.rights.licenseARR
dc.citation.rankM23~
dc.identifier.doi10.1002/bmc.5413
dc.identifier.scopus2-s2.0-85131157068
dc.identifier.wos00080498990000


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