Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products

dc.contributorUniversidade de São Paulo (USP)
dc.contributorUniversity Federal of Paraíba
dc.contributorUniversidade Estadual Paulista (UNESP)
dc.date.accessioned2022-04-28T18:56:12Z
dc.date.accessioned2022-12-20T00:48:54Z
dc.date.available2022-04-28T18:56:12Z
dc.date.available2022-12-20T00:48:54Z
dc.date.created2022-04-28T18:56:12Z
dc.date.issued2009-01-01
dc.identifierRevista Brasileira de Farmacognosia, v. 19, n. 4, p. 908-913, 2009.
dc.identifier0102-695X
dc.identifierhttp://hdl.handle.net/11449/219550
dc.identifier10.1590/S0102-695X2009000600020
dc.identifier2-s2.0-77949530420
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/5399679
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; ΔHOX; and ΔHf) were calculated. Considering the results from the calculated descriptors, the molecules 10a-f can be classified as having a higher antioxidant activity.
dc.languageeng
dc.relationRevista Brasileira de Farmacognosia
dc.sourceScopus
dc.subjectAntioxidant activity
dc.subjectMolecular modeling
dc.subjectPhenolic compounds
dc.titleMolecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución