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dc.contributor.authorJevrić, Lidija
dc.contributor.authorKaradžić, Milica
dc.contributor.authorMandić, Anamarija
dc.contributor.authorPodunavac-Kuzmanović, Sanja
dc.contributor.authorKovačević, Strahinja
dc.contributor.authorNikolić, Andrea
dc.contributor.authorOklješa, Aleksandar
dc.contributor.authorSakač, Marijana
dc.contributor.authorPenov-Gaši, Katarina
dc.contributor.authorStojanović, Srđan
dc.date.accessioned2018-06-20T14:44:03Z
dc.date.available2018-06-20T14:44:03Z
dc.date.issued2017-02-05
dc.identifier.citationJevrić, L., Karadžić, M., Mandić, A., Podunavac-Kuzmanović, S., Kovačević, S., Nikolić, A., Oklješa, A., Sakač, M., Penov-Gaši, K., Stojanović, S. (2017) Lipophilicity estimation and characterization of selected steroid derivatives of biomedical importance applying RP HPLC. Journal of Pharmaceutical and Biomedical Analysis, 134, 27–35. DOI: 10.1016/j.jpba.2016.11.015en_US
dc.identifier.issn0731-7085
dc.identifier.urihttp://oa.fins.uns.ac.rs/handle/123456789/77
dc.descriptionpeer-revieweden_US
dc.description.abstractThe present paper deals with chromatographic lipophilicity determination of twenty-nine selected steroid derivatives using reversed-phase high-performance liquid chromatography (RP HPLC) combined with two mobile phase, acetonitrile-water and methanol-water. Chromatographic behavior of four groups (triazole and tetrazole, toluenesulfonylhydrazide, nitrile and dinitrile and dione) of selected steroid derivatives was studied. Investigated compounds were grouped using principal component analysis (PCA) according to their logk values for both mobile phases. Grouping was in the very good accordance with the polarity and lipophilicity ofthe investigated compounds. QSRR (quantitative structure-retention relationship) approach was used to model chromatographic lipophilicity behavior using molecular descriptors. Modeling was performed using linear regression (LR) and multiple linear regression (MLR) methods. The most influential molecular descriptors were lipophilicity descriptors that are important for molecules ability to pass through biological membranes and geometrical descriptors. All established LR-QSRR and MLR-QSRR models were statistically validated by standards, cross- and external validation parameters as well as with two graphical methods. According to all these assessments, MLR models were better for chromatographic lipophilicity prediction. It was shown that chromatographic systems with methanol-water were better for modeling of logk than systems with acetonitrile-water, as well as the systems that contained lower volume fractions of organic component in mobile phase. Modeling was performed in order to obtain lipophilicity profiles of investigated compounds as future drug candidates of biomedical importance.en_US
dc.description.sponsorshipThese results are the part of the projects Nos. 172025, 31055 and 172012, supported by the Ministry of Education, Science and Technological Development of the Republic of Serbia.en_US
dc.language.isoenen_US
dc.publisherELSEVIERen_US
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172025/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/31055/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172012/RS//
dc.relation.ispartofseries001;0072
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectDrug candidatesen_US
dc.subjectChemometricsen_US
dc.subjectLipophilicityen_US
dc.subjectLiquid chromatographyen_US
dc.subjectQuantitative structure retention relationshipsen_US
dc.titleLipophilicity estimation and characterization of selected steroid derivatives of biomedical importance applying RP HPLCen_US
dc.title.alternative-en_US
dc.typeinfo:eu-repo/semantics/articleen_US


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