DSpace Repository

Comprehensive QSRR modeling as a starting point in characterization and further development of anticancer drugs based on 17α-picolyl and 17(E)-picolinylidene androstane structures

Show simple item record

dc.contributor.author Đurendić, Evgenija en_US
dc.contributor.author Ajduković, Jovana en_US
dc.contributor.author Jevrić, Lidija en_US
dc.contributor.author Jovanov, Pavle en_US
dc.contributor.author Kovačević, Strahinja en_US
dc.contributor.author Podunavac-Kuzmanović, Sanja en_US
dc.date.accessioned 2017-11-27T15:05:12Z
dc.date.available 2017-11-27T15:05:12Z
dc.date.issued 2016-10-10
dc.identifier.citation S. Kovačević, S. Podunavac-Kuzmanović, L. Jevrić, P. Jovanov, E. Đurendić, J. Ajduković. Comprehensive QSRR modeling as a starting point in characterization and further development of anticancer drugs based on 17α-picolyl and 17(E)-picolinylidene androstane structures. European Journal of Pharmaceutical Sciences, 93 (2016) 1–10. DOI: 10.1016/j.ejps.2016.07.008 en_US
dc.identifier.issn 0928-0987
dc.identifier.uri http://oa.fins.uns.ac.rs/handle/123456789/39
dc.description peer-reviewed en_US
dc.description.abstract The selection of the most promising anticancer compounds from the pool of the huge number of synthesized molecules is a quite complex task. There are many compounds characterization approaches which can suggest the best structural features of a molecule with the highest antiproliferative effect on the certain type of cancer cell lines. One of these approaches is the lipophilicity determination of compounds and the analysis of its correlation with the anticancer activity. Since the importance of the lipophilicity is underlined in many earlier studies, this study is focused on determination of lipophilicity of previously synthesized 17α-picolyl and 17(E)-picolinylidene androstane derivatives by using reversed-phase high performance liquid chromatography (RP-HPLC) as a very fast, effective and relatively cheap method. Determination of the chromatographic lipophilicity of the studied androstanes can be considered as the part of their physicochemical characterization, which is a very important step in their further selection as drug candidates. The present study does not neglect the in silico approach. The determined chromatographic lipophilicity was analyzed by quantitative structure-retention relationship (QSRR) approach in order to reveal which molecular characteristics contribute mostly to the typical behavior of the androstanes in the applied chromatographic system, and thus to their lipophilicity. Classical statistical approach and Sum of Ranking Differences method were used for selection of the best QSRR models which should be used in prediction of chromatographic lipophilicity of studied androstane derivatives. en_US
dc.description.sponsorship This study is financially supported by the research projects of the Ministry of Education, Science and Technological Development of the Republic of Serbia (No. 172012 and No. 172021) and the research project of the Provincial Secretariat for Science and Technological Development of Vojvodina (No. 114-451-347/2015-02). 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)/172021/RS//
dc.relation info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172012/RS//
dc.relation.ispartofseries 001;0034
dc.rights info:eu-repo/semantics/openAccess
dc.subject androstane derivatives en_US
dc.subject anticancer compounds en_US
dc.subject chemometrics en_US
dc.subject lipophilicity en_US
dc.subject molecular modeling en_US
dc.subject reversed-phase HPLC en_US
dc.title Comprehensive QSRR modeling as a starting point in characterization and further development of anticancer drugs based on 17α-picolyl and 17(E)-picolinylidene androstane structures en_US
dc.title.alternative - en_US
dc.type info:eu-repo/semantics/article en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record

Search DSpace


Browse

My Account