Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
Contribuinte(s) |
Universidade Estadual Paulista (UNESP) |
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Data(s) |
20/05/2014
20/05/2014
01/10/2009
|
Resumo |
Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Reactive 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. |
Formato |
908-913 |
Identificador |
http://dx.doi.org/10.1590/S0102-695X2009000600020 Revista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy. Amsterdam: John Benjamins Publishing Company, v. 19, n. 4, p. 908-913, 2009. 0102-695X http://hdl.handle.net/11449/26091 S0102-695X2009000600020 WOS:000275593200020 S0102-695X2009000600020.pdf |
Idioma(s) |
eng |
Publicador |
John Benjamins Publishing Company |
Relação |
Revista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy |
Direitos |
openAccess |
Palavras-Chave | #Molecular modeling #phenolic compounds #antioxidant activity |
Tipo |
info:eu-repo/semantics/article |