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dc.creatorNikolić, Katarina
dc.date.accessioned2019-09-02T11:09:25Z
dc.date.available2019-09-02T11:09:25Z
dc.date.issued2007
dc.identifier.issn0166-1280
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/918
dc.description.abstractalpha-Tocopherol compounds with lysine, succinic, and butyric acid are inducing human MCF-7 breast cancer cells to undergo apoptosis via destabilization of lysosomal and mitochondrial membranes. Here the QSAR models for anticancer agents were performed to correlate their physicochemical properties with biological activities. Liposolubility at pH 5.0 (log D), number of methyl groups in aliphatic side chain, partial charge of oxygen atom in the structure and dipole moment, account for the anticancer activity of a-tocopherol derivatives. Multiple linear regression models with two, three and four variables, for MCF-7 breast cancer cell lines, were obtained with R-2 > 0.83 and cross-validation parameter, q(pre)(2) > 0.66. The QSAR approach can help in understanding structural features that contribute to the action of the molecules, and hence can be used to design drugs with better anticancer activity.en
dc.publisherElsevier Science BV, Amsterdam
dc.rightsrestrictedAccess
dc.sourceJournal of Molecular Structure - THEOCHEM
dc.subjectalpha-tocopherolen
dc.subjectcholesterolen
dc.subjectlysineen
dc.subjecthuman breast canceren
dc.titleQSAR study of alpha-tocopherol derivatives with chemotherapeutic activity against human breast cancer cellsen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractНиколић, Катарина;
dc.citation.volume809
dc.citation.issue1-3
dc.citation.spage137
dc.citation.epage143
dc.citation.other809(1-3): 137-143
dc.citation.rankM23
dc.identifier.wos000246503200017
dc.identifier.doi10.1016/j.theochem.2007.01.026
dc.identifier.scopus2-s2.0-34147192479
dc.identifier.rcubconv_1848
dc.type.versionpublishedVersion


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