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Lipophilicity estimation and characterization of selected steroid derivatives of biomedical importance applying RP HPLC

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dc.contributor.author Jevrić, Lidija
dc.contributor.author Karadžić, Milica
dc.contributor.author Mandić, Anamarija
dc.contributor.author Podunavac-Kuzmanović, Sanja
dc.contributor.author Kovačević, Strahinja
dc.contributor.author Nikolić, Andrea
dc.contributor.author Oklješa, Aleksandar
dc.contributor.author Sakač, Marijana
dc.contributor.author Penov-Gaši, Katarina
dc.contributor.author Stojanović, Srđan
dc.date.accessioned 2018-06-20T14:44:03Z
dc.date.available 2018-06-20T14:44:03Z
dc.date.issued 2017-02-05
dc.identifier.citation Jevrić, 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.2016.11.015 en_US
dc.identifier.issn 0731-7085
dc.identifier.uri http://oa.fins.uns.ac.rs/handle/123456789/77
dc.description peer-reviewed en_US
dc.description.abstract The 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.sponsorship These 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.iso en en_US
dc.publisher ELSEVIER en_US
dc.relation info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172025/RS//
dc.relation info:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/31055/RS//
dc.relation info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172012/RS//
dc.relation.ispartofseries 001;0072
dc.rights info:eu-repo/semantics/openAccess
dc.subject Drug candidates en_US
dc.subject Chemometrics en_US
dc.subject Lipophilicity en_US
dc.subject Liquid chromatography en_US
dc.subject Quantitative structure retention relationships en_US
dc.title Lipophilicity estimation and characterization of selected steroid derivatives of biomedical importance applying RP HPLC en_US
dc.title.alternative - en_US
dc.type info:eu-repo/semantics/article en_US


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