Please use this identifier to cite or link to this item:
https://open.uns.ac.rs/handle/123456789/4423
DC Field | Value | Language |
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dc.contributor.author | Kovačević, Strahinja | en_US |
dc.contributor.author | Podunavac-Kuzmanović, Sanja | en_US |
dc.contributor.author | Jevrić, Lidija | en_US |
dc.contributor.author | Vukić, Vladimir | en_US |
dc.contributor.author | Savić (Zaviš), Marina | en_US |
dc.contributor.author | Đurendić, Evgenija | en_US |
dc.date.accessioned | 2019-09-23T10:34:09Z | - |
dc.date.available | 2019-09-23T10:34:09Z | - |
dc.date.issued | 2016-10-10 | - |
dc.identifier.issn | 09280987 | en_US |
dc.identifier.uri | https://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.iso | en | en_US |
dc.publisher | Elsevier | en_US |
dc.relation.ispartof | European Journal of Pharmaceutical Sciences | en_US |
dc.title | Preselection 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 analysis | en_US |
dc.type | Article | en_US |
dc.identifier.doi | 10.1016/j.ejps.2016.08.009 | - |
dc.identifier.pmid | 93 | - |
dc.identifier.scopus | 2-s2.0-84982095577 | - |
dc.identifier.url | https://api.elsevier.com/content/abstract/scopus_id/84982095577 | - |
dc.description.version | Published | en_US |
dc.relation.lastpage | 113 | en_US |
dc.relation.firstpage | 107 | en_US |
dc.relation.volume | 93 | en_US |
item.fulltext | No Fulltext | - |
item.grantfulltext | none | - |
crisitem.author.dept | Tehnološki fakultet, Katedra za primenjene i inženjerske hemije | - |
crisitem.author.dept | Tehnološki fakultet, Katedra za primenjene i inženjerske hemije | - |
crisitem.author.dept | Tehnološki fakultet, Katedra za primenjene i inženjerske hemije | - |
crisitem.author.dept | Tehnološki fakultet, Katedra za inženjerstvo konzervirane hrane | - |
crisitem.author.dept | Prirodno-matematički fakultet, Departman za hemiju, biohemiju i zaštitu životne sredine | - |
crisitem.author.orcid | 0000-0002-5619-9894 | - |
crisitem.author.orcid | 0000-0002-4269-9206 | - |
crisitem.author.orcid | 0000-0001-7925-6815 | - |
crisitem.author.orcid | 0000-0002-5712-7251 | - |
crisitem.author.orcid | 0000-0002-1019-3673 | - |
crisitem.author.parentorg | Tehnološki fakultet | - |
crisitem.author.parentorg | Tehnološki fakultet | - |
crisitem.author.parentorg | Tehnološki fakultet | - |
crisitem.author.parentorg | Tehnološki fakultet | - |
crisitem.author.parentorg | Prirodno-matematički fakultet | - |
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