Publicação: Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
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John Benjamins Publishing Company
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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.
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Molecular modeling, phenolic compounds, antioxidant activity
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Inglês
Como citar
Revista Brasileira de Farmacognosia-brazilian Journal of Pharmacognosy. Amsterdam: John Benjamins Publishing Company, v. 19, n. 4, p. 908-913, 2009.
