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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/129446
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dc.contributor.authorNaranjo-Montoya, Oscar A.-
dc.contributor.authorMartins, Lucas M.-
dc.contributor.authorSilva-Filho, Luiz C. da-
dc.contributor.authorBatagin-Neto, Augusto-
dc.contributor.authorLavarda, Francisco C.-
dc.date.accessioned2015-10-21T21:07:04Z-
dc.date.accessioned2016-10-25T21:09:12Z-
dc.date.available2015-10-21T21:07:04Z-
dc.date.available2016-10-25T21:09:12Z-
dc.date.issued2015-02-01-
dc.identifierhttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532015000200255&lng=en&nrm=iso&tlng=en-
dc.identifier.citationJournal Of The Brazilian Chemical Society, v. 26, n. 2, p. 255-265, 2015.-
dc.identifier.issn0103-5053-
dc.identifier.urihttp://hdl.handle.net/11449/129446-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/129446-
dc.description.abstractIn this study, correlations between electronic structure and the antimalarial activities reported for a group of 21 tetrahydropyridines were evaluated by multivariate methods. Simple and multiple linear regressions, principal component analyses, and linear discriminant analyses were employed to evaluate possible correlations between quantum-mechanical descriptors and pharmacological activity. The results obtained provide useful information on the position of active sites of tetrahydropyridines and identify some specific features associated with active derivatives. Based on these findings, simple substitution rules are proposed for designing more efficient tetrahydropyridine derivatives.en
dc.description.sponsorshipInternational Association for the Exchange of Students for Technical Experience - Brazil-
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
dc.description.sponsorshipCenter for Scientific Computing (NCC/GridUNESP) of the Sao Paulo State University (UNESP)-
dc.format.extent255-265-
dc.language.isoeng-
dc.publisherSoc Brasileira Quimica-
dc.sourceWeb of Science-
dc.subjectAntimalarialsen
dc.subjectTetrahydropyridinesen
dc.subjectElectronic structureen
dc.subjectMolecular modelingen
dc.subjectQuantitative structure-activity relationshipen
dc.titleThe correlation between electronic structure and antimalarial activity of tetrahydropyridinesen
dc.typeoutro-
dc.contributor.institutionUniversidad del Quindío-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.description.affiliationUniv Quindio, Fac Ciencias Basicas &Tecnol, Programa Fis, Quindio, Colombia-
dc.description.affiliationUniv Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat, BR-17033360 Bauru, SP, Brazil-
dc.description.affiliationUniv Estadual Paulista, Dept Quim, BR-17033360 Bauru, SP, Brazil-
dc.description.affiliationUniv Estadual Paulista, BR-18409010 Itapeva, SP, Brazil-
dc.description.affiliationUniv Estadual Paulista, Fac Ciencias, Dept Fis, BR-17033360 Bauru, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat, BR-17033360 Bauru, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, Dept Quim, BR-17033360 Bauru, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, BR-18409010 Itapeva, SP, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, Fac Ciencias, Departamento de Física, BR-17033360 Bauru, SP, Brazil-
dc.description.sponsorshipIdFAPESP: 2004/13341-1-
dc.description.sponsorshipIdFAPESP: 2013/08697-0-
dc.description.sponsorshipIdFAPESP: 2010/18022-2-
dc.description.sponsorshipIdFAPESP: 2011/14769-9-
dc.identifier.doihttp://dx.doi.org/10.5935/0103-5053.20140263-
dc.identifier.scieloS0103-50532015000200255-
dc.identifier.wosWOS:000351850100007-
dc.rights.accessRightsAcesso aberto-
dc.identifier.fileS0103-50532015000200255.pdf-
dc.relation.ispartofJournal Of The Brazilian Chemical Society-
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