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Host-guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling study

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dc.contributor.authorGrillo, Renato [UNESP]
dc.contributor.authorde Melo, Nathalie F. S.
dc.contributor.authorde Araujo, Daniele R.
dc.contributor.authorTrossini, Gustavo H. G.
dc.contributor.authorda Cunha, Elaine F. F.
dc.contributor.authorRamalho, Teodorico de Castro
dc.contributor.authorFraceto, Leonardo Fernandes [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniversidade Federal do ABC (UFABC)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Federal de Lavras (UFLA)
dc.date.accessioned2014-05-20T15:31:08Z
dc.date.available2014-05-20T15:31:08Z
dc.date.issued2010-04-01
dc.description.abstractNitroheterocyclic compounds (NC) were candidate drugs proposed for Chagas disease chemotherapy. In this study, we investigated the complexation of hydroxymethylnitrofurazone (NFOH), a potential antichagasic compound, with alpha-cyclodextrin (alpha-CD), beta-cyclodextrin (beta-CD), Hydroxypropyl-beta-cyclodextrin (HP-beta-CD), Dimethyl-beta-cyclodextrin (DM-beta-CD) and gamma-cyclodextrin (gamma-CD) by fluorescence spectroscopy and molecular modeling studies. Hildebrand-Benesi equation was used to calculate the formation constants of NFOH with cyclodextrins based on the fluorescence differences in the CDs solution. The complexing capacity of NFOH with different CDs was compared through the results of association constant according to the following order: DM-beta-CD > beta-CD > alpha-CD > HP-beta-CD > gamma-CD. Molecular modeling studies give support for the experimental assignments, in favor of the formation of an inclusion complex between cyclodextrins with NFOH. This is an important study to investigate the effects of different kinds of cyclodextrins on the inclusion complex formation with NFOH and to better characterize a potential formulations to be used as therapeutic options for the oral treatment of Chagas disease.en
dc.description.affiliationUniv Estadual Paulista, BR-18087180 São Paulo, Brazil
dc.description.affiliationUniv Estadual Campinas, Dept Bioquim, Inst Biol, Campinas, SP, Brazil
dc.description.affiliationUniversidade Federal do ABC (UFABC), Santo Andre, SP, Brazil
dc.description.affiliationUniv São Paulo, Fac Ciencias Farmaceut, São Paulo, Brazil
dc.description.affiliationUniversidade Federal de Lavras (UFLA), Lavras, MG, Brazil
dc.description.affiliationUnespUniv Estadual Paulista, BR-18087180 São Paulo, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de Minas Gerais (FAPEMIG)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIdFAPESP: 05/03045-9
dc.description.sponsorshipIdFAPESP: 08/01222-9
dc.description.sponsorshipIdFAPESP: 06/00121-9
dc.format.extent417-421
dc.identifierhttp://dx.doi.org/10.1007/s10847-009-9632-8
dc.identifier.citationJournal of Inclusion Phenomena and Macrocyclic Chemistry. Dordrecht: Springer, v. 66, n. 3-4, p. 417-421, 2010.
dc.identifier.doi10.1007/s10847-009-9632-8
dc.identifier.issn0923-0750
dc.identifier.lattes2188736885721242
dc.identifier.orcid0000-0002-0284-5782
dc.identifier.urihttp://hdl.handle.net/11449/40355
dc.identifier.wosWOS:000275650800025
dc.language.isoeng
dc.publisherSpringer
dc.relation.ispartofJournal of Inclusion Phenomena and Macrocyclic Chemistry
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectNitroheterocyclic compounden
dc.subjectCyclodextrinsen
dc.subjectFluorescence spectroscopyen
dc.subjectMolecular modelingen
dc.subjectInclusion complexen
dc.titleHost-guest complexation of a nitroheterocyclic compound with cyclodextrins: a spectrofluorimetric and molecular modeling studyen
dc.typeArtigo
dcterms.licensehttp://www.springer.com/open+access/authors+rights?SGWID=0-176704-12-683201-0
dcterms.rightsHolderSpringer
dspace.entity.typePublication
unesp.author.lattes2188736885721242[1]
unesp.author.orcid0000-0002-0284-5782[1]
unesp.author.orcid0000-0002-9289-4229[3]
unesp.author.orcid0000-0003-0765-4421[2]
unesp.author.orcid0000-0003-3634-2531[4]
unesp.author.orcid0000-0002-7324-1353[6]
unesp.author.orcid0000-0002-2827-2038[7]
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Ciência e Tecnologia, Sorocabapt
unesp.departmentEngenharia Ambiental - ICTSpt

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Sorocaba - ICTS - Instituto de Ciência e Tecnologia