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dc.creatorCvijetić, Ilija
dc.creatorZizak, Zeljko P.
dc.creatorStanojković, Tatjana
dc.creatorJuranic, Zorica D.
dc.creatorTerzic, Natasa
dc.creatorOpsenica, Igor
dc.creatorOpsenica, Dejan M.
dc.creatorJuranić, Ivan O.
dc.creatorDrakulić, Branko J.
dc.date.accessioned2018-11-22T00:17:03Z
dc.date.available2018-11-22T00:17:03Z
dc.date.issued2010
dc.identifier.issn0223-5234
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1120
dc.description.abstractAn alignment-free 3D QSAR study on antiproliferative activity of the thirty-three 1,2,4,5-tetraoxane derivatives toward two human dedifferentiated cell lines was reported. GRIND methodology, where descriptors are derived from GRID molecular interaction fields (MIF), were used It was found that pharmacophoric pattern attributed to the most potent derivatives Include amido NH of the primary or secondary amide, and the acetoxy fragments at positions 7 and 12 of steroid core which are, along with the tetraoxane ring, common for all studied compounds. Independently, simple multiple regression model obtained by using the whole-molecular properties, confirmed that the hydrophobicity and the H-bond donor properties are the main parameters influencing potency of compounds toward human cervix carcinoma (HeLa) and human malignant melanoma (FemX) cell lines Corollary, similar structural motifs are found to be Important for the potency toward both examined cell lines. (C) 2010 Elsevier Masson SAS. All rights reserved.en
dc.publisherElsevier France-Editions Scientifiques Medicales Elsevier, Paris
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/142010/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/MPN2006-2010/142022/RS//
dc.rightsrestrictedAccess
dc.sourceEuropean Journal of Medicinal Chemistry
dc.subjectTetraoxanesen
dc.subject3D QSARen
dc.subjectGRINDen
dc.subjectAntiproliferative activityen
dc.subjectMultiple linear regressionen
dc.titleAn alignment independent 3D QSAR study of the antiproliferative activity of 1,2,4,5-tetraoxanesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractЗизак, Зељко П.; Опсеница, Игор; Опсеница, Дејан М.; Дракулиц, Бранко Ј.; Цвијетић, Илија; Јураниц, Зорица Д.; Терзиц, Натаса; Јураниц, Иван О.; Станојковиц, Татјана П.;
dc.citation.volume45
dc.citation.issue10
dc.citation.spage4570
dc.citation.epage4577
dc.identifier.wos000282112700019
dc.identifier.doi10.1016/j.ejmech.2010.07.019
dc.citation.other45(10): 4570-4577
dc.citation.rankM21
dc.identifier.pmid20705369
dc.type.versionpublishedVersionen
dc.identifier.scopus2-s2.0-77956186150
dc.identifier.rcubKon_2120


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