Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
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Data
2009-10-01
Autores
Scotti, Luciana
Scotti, Marcus Tullius
Mesquita Pasqualoto, Kerly Fernanda
Bolzani, Vanderlan da Silva [UNESP]
Ferreira, Elizabeth Igne
Título da Revista
ISSN da Revista
Título de Volume
Editor
John Benjamins Publishing Company
Resumo
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.
Descrição
Palavras-chave
Molecular modeling, phenolic compounds, antioxidant activity
Como citar
Revista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy. Amsterdam: John Benjamins Publishing Company, v. 19, n. 4, p. 908-913, 2009.