Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products

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dc.contributor.authorScotti, Luciana
dc.contributor.authorScotti, Marcus Tullius
dc.contributor.authorMesquita Pasqualoto, Kerly Fernanda
dc.contributor.authorBolzani, Vanderlan da Silva [UNESP]
dc.contributor.authorFerreira, Elizabeth Igne
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Federal da Paraíba (UFPB)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T14:20:16Z
dc.date.available2014-05-20T14:20:16Z
dc.date.issued2009-10-01
dc.description.abstractReactive oxygen species (ROS) are capable of oxidizing cellular proteins, nucleic acids and lipids, contributing to cellular aging, mutagenesis, carcinogenesis, coronary heart and neurodegenerative diseases. Free radicals-scavenging by phenolic compounds occurs by the transfer of one electron followed by the H-abstraction. In order to evaluate the antioxidant activity of a series of seventeen phenolic compounds extracted from Brazilian flora (Chimarrhis turbinata and Arrabidea samydoides), some physicochemical parameters (heat formation of the neutral, radical, and cationic compounds; orbitals' energies; ClogP;Delta H(OX); and Delta H(f)) were calculated. Considering the results from the calculated descriptors, the molecules 10a-f can be classified as having a higher antioxidant activity.en
dc.description.affiliationUniv São Paulo, Sch Pharmaceut Sci, Dept Pharm, BR-05508900 São Paulo, Brazil
dc.description.affiliationUniversidade Federal da Paraíba (UFPB), Ctr Ciencias Aplicadas & Educ, Rio Tinto, PB, Brazil
dc.description.affiliationState Univ Julio de Mesquita Filho, Inst Chem, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUnespState Univ Julio de Mesquita Filho, Inst Chem, BR-14800900 Araraquara, SP, Brazil
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.format.extent908-913
dc.identifierhttp://dx.doi.org/10.1590/S0102-695X2009000600020
dc.identifier.citationRevista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy. Amsterdam: John Benjamins Publishing Company, v. 19, n. 4, p. 908-913, 2009.
dc.identifier.fileS0102-695X2009000600020.pdf
dc.identifier.issn0102-695X
dc.identifier.lattes4484083685251673
dc.identifier.scieloS0102-695X2009000600020
dc.identifier.urihttp://hdl.handle.net/11449/26091
dc.identifier.wosWOS:000275593200020
dc.language.isoeng
dc.publisherJohn Benjamins Publishing Company
dc.relation.ispartofRevista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy
dc.relation.ispartofjcr1.596
dc.rights.accessRightsAcesso aberto
dc.sourceWeb of Science
dc.subjectMolecular modelingen
dc.subjectphenolic compoundsen
dc.subjectantioxidant activityen
dc.titleMolecular physicochemical parameters predicting antioxidant activity of Brazilian natural productsen
dc.title.alternativeParâmetros físico-químicos na predição da atividade antioxidante de produtos naturais brasileirospt
dc.typeArtigo
dcterms.rightsHolderJohn Benjamins Publishing Company
unesp.author.lattes4484083685251673
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Química, Araraquarapt

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Artigos - Química Orgânica - IQ