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The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones

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dc.contributor.authorBatagin-Neto, Augusto [UNESP]
dc.contributor.authorLavarda, Francisco Carlos [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-27T11:29:40Z
dc.date.available2014-05-27T11:29:40Z
dc.date.issued2013-06-11
dc.description.abstractChalcones have shown potential to several pharmacological applications including antimalarial properties. We employed multivariate data analysis to correlate the antimalarial activity with electronic structure descriptors obtained through quantum mechanical calculations. The results show high statistical significance and bring valuable insights in order to design new compounds. © 2013 Springer Science+Business Media New York.en
dc.description.affiliationDF-FC, Universidade Estadual Paulista (UNESP), Av. Eng. Luiz Edmundo Carrijo Coube 14-01, Bauru, 17033-360
dc.description.affiliationUnespDF-FC, Universidade Estadual Paulista (UNESP), Av. Eng. Luiz Edmundo Carrijo Coube 14-01, Bauru, 17033-360
dc.format.extent1-7
dc.identifierhttp://dx.doi.org/10.1007/s00044-013-0667-4
dc.identifier.citationMedicinal Chemistry Research, p. 1-7.
dc.identifier.doi10.1007/s00044-013-0667-4
dc.identifier.issn1054-2523
dc.identifier.issn1554-8120
dc.identifier.lattes9457018963105073
dc.identifier.scopus2-s2.0-84878647429
dc.identifier.urihttp://hdl.handle.net/11449/75630
dc.identifier.wosWOS:000330766600003
dc.language.isoeng
dc.relation.ispartofMedicinal Chemistry Research
dc.relation.ispartofjcr1.607
dc.relation.ispartofsjr0,422
dc.rights.accessRightsAcesso restrito
dc.sourceScopus
dc.subjectAntimalarials
dc.subjectChalcones
dc.subjectElectronic structure
dc.subjectMolecular modeling
dc.titleThe correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalconesen
dc.typeArtigo
dcterms.licensehttp://www.springer.com/open+access/authors+rights
dspace.entity.typePublication
unesp.author.lattes9457018963105073
unesp.author.lattes2813393825580000[1]
unesp.author.orcid0000-0003-4609-9002[1]
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências, Baurupt
unesp.departmentFísica - FCpt

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Bauru - FC - Faculdade de Ciências