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AN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ANTITUMOR DRUG ELLIPTICINE AND ITS DERIVATIVES .1. GEOMETRICAL AM1 STUDY

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dc.contributor.authorDantas, S. O.
dc.contributor.authorLavarda, Francisco Carlos [UNESP]
dc.contributor.authorGalvao, D. S.
dc.contributor.authorLaks, B.
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T15:24:52Z
dc.date.available2014-05-20T15:24:52Z
dc.date.issued1992-01-31
dc.description.abstractEllipticine and its derivatives are a class of molecules that show antitumor and cytotoxic activity with a multimodal mechanism of action. In this paper we report a preliminary Austin Method One (AM1) study of ellipticine and some molecules derived from it. We have observed a relationship between charge density distribution and biological selectivity. A mechanism that could improve cytotoxic activity is proposed.en
dc.description.affiliationUNESP BAURU,DEPT FIS,BR-17033 BAURU,SP,BRAZIL
dc.description.affiliationUnespUNESP BAURU,DEPT FIS,BR-17033 BAURU,SP,BRAZIL
dc.format.extent319-332
dc.identifierhttp://dx.doi.org/10.1016/0166-1280(92)87117-I
dc.identifier.citationTheochem-Journal of Molecular Structure. Amsterdam: Elsevier B.V., v. 85, p. 319-332, 1992.
dc.identifier.doi10.1016/0166-1280(92)87117-I
dc.identifier.issn0166-1280
dc.identifier.lattes9457018963105073
dc.identifier.urihttp://hdl.handle.net/11449/35398
dc.identifier.wosWOS:A1992HE63500026
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofTheochem-Journal of Molecular Structure
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleAN INVESTIGATION OF THE ELECTRONIC-STRUCTURE OF THE ANTITUMOR DRUG ELLIPTICINE AND ITS DERIVATIVES .1. GEOMETRICAL AM1 STUDYen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
dspace.entity.typePublication
unesp.author.lattes9457018963105073
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências, Baurupt
unesp.departmentFísica - FCpt

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Bauru - FC - Faculdade de Ciências