Please use this identifier to cite or link to this item: https://open.uns.ac.rs/handle/123456789/4423
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dc.contributor.authorKovačević, Strahinjaen_US
dc.contributor.authorPodunavac-Kuzmanović, Sanjaen_US
dc.contributor.authorJevrić, Lidijaen_US
dc.contributor.authorVukić, Vladimiren_US
dc.contributor.authorSavić (Zaviš), Marinaen_US
dc.contributor.authorĐurendić, Evgenijaen_US
dc.date.accessioned2019-09-23T10:34:09Z-
dc.date.available2019-09-23T10:34:09Z-
dc.date.issued2016-10-10-
dc.identifier.issn09280987en_US
dc.identifier.urihttps://open.uns.ac.rs/handle/123456789/4423-
dc.description.abstract© 2016 Elsevier B.V. The problem with trial-and-error approach in organic synthesis of targeted anticancer compounds can be successfully avoided by computational modeling of molecules, docking studies and chemometric tools. It has been proven that A- and B- modified D-homo lactone and D-seco androstane derivatives are compounds with significant antiproliferative activity against estrogen-independent breast adenocarcinoma (ER-, MDA-MB-231) and androgen-independent prostate cancer cells (AR-, PC-3). This paper presents the quantitative structure-activity relationship (QSAR) models based on artificial neural networks (ANNs) which are able to predict whether D-homo lactone and/or D-seco androstane-based compounds will express antiproliferative activity against breast cancer cells (MDA-MB-231) or not. Also, the present paper describes the molecular docking study of 3β-acetoxy-5α,6α-epoxy- (3) and 6α,7α-epoxy-1,4-dien-3-one (24) D-homo lactone androstane derivatives, as well as 4-en-3-one (15) D-seco androstane derivative, which are compounds with strong or moderate antiproliferative activity against prostate cancer cells (PC-3), and compares them with commercially available medicament for prostate cancer – abiraterone. The obtained promising results can be used as guidelines in further syntheses of novel D-homo lactone and D-seco androstane derivatives with antiproliferative activity against breast and prostate cancer cells.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofEuropean Journal of Pharmaceutical Sciencesen_US
dc.titlePreselection of A- and B- modified D-homo lactone and D-seco androstane derivatives as potent compounds with antiproliferative activity against breast and prostate cancer cells – QSAR approach and molecular docking analysisen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/j.ejps.2016.08.009-
dc.identifier.pmid93-
dc.identifier.scopus2-s2.0-84982095577-
dc.identifier.urlhttps://api.elsevier.com/content/abstract/scopus_id/84982095577-
dc.description.versionPublisheden_US
dc.relation.lastpage113en_US
dc.relation.firstpage107en_US
dc.relation.volume93en_US
item.fulltextNo Fulltext-
item.grantfulltextnone-
crisitem.author.deptTehnološki fakultet, Katedra za primenjene i inženjerske hemije-
crisitem.author.deptTehnološki fakultet, Katedra za primenjene i inženjerske hemije-
crisitem.author.deptTehnološki fakultet, Katedra za primenjene i inženjerske hemije-
crisitem.author.deptTehnološki fakultet, Katedra za inženjerstvo konzervirane hrane-
crisitem.author.deptPrirodno-matematički fakultet, Departman za hemiju, biohemiju i zaštitu životne sredine-
crisitem.author.orcid0000-0002-5619-9894-
crisitem.author.orcid0000-0002-4269-9206-
crisitem.author.orcid0000-0001-7925-6815-
crisitem.author.orcid0000-0002-5712-7251-
crisitem.author.orcid0000-0002-1019-3673-
crisitem.author.parentorgTehnološki fakultet-
crisitem.author.parentorgTehnološki fakultet-
crisitem.author.parentorgTehnološki fakultet-
crisitem.author.parentorgTehnološki fakultet-
crisitem.author.parentorgPrirodno-matematički fakultet-
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