Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products
| dc.contributor.author | Scotti, Luciana | |
| dc.contributor.author | Scotti, Marcus Tullius | |
| dc.contributor.author | Pasqualoto, Kerly Fernanda Mesquita | |
| dc.contributor.author | Da Silva Bolzani, Vanderlan [UNESP] | |
| dc.contributor.author | Ferreira, Elizabeth Igne | |
| dc.contributor.institution | Universidade de São Paulo (USP) | |
| dc.contributor.institution | University Federal of Paraíba | |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | |
| dc.date.accessioned | 2022-04-28T18:56:12Z | |
| dc.date.available | 2022-04-28T18:56:12Z | |
| dc.date.issued | 2009-01-01 | |
| dc.description.abstract | 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; 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. | en |
| dc.description.affiliation | Department of Pharmacy School of Pharmaceutical Sciences University of São Paulo, Av Prof. Lineu Prestes 580, Bl. 13, 05508-900 São Paulo-SP | |
| dc.description.affiliation | Centro de Ciências Aplicadas e Educação University Federal of Paraíba Campus IV, Litoral Norte, Rio Tinto-PB | |
| dc.description.affiliation | Institute of Chemistry State University Júlio de Mesquita Filho, Rua Francisco Degni s/n, 14800-900 Araraquara-SP | |
| dc.description.affiliationUnesp | Institute of Chemistry State University Júlio de Mesquita Filho, Rua Francisco Degni s/n, 14800-900 Araraquara-SP | |
| dc.format.extent | 908-913 | |
| dc.identifier | http://dx.doi.org/10.1590/S0102-695X2009000600020 | |
| dc.identifier.citation | Revista Brasileira de Farmacognosia, v. 19, n. 4, p. 908-913, 2009. | |
| dc.identifier.doi | 10.1590/S0102-695X2009000600020 | |
| dc.identifier.issn | 0102-695X | |
| dc.identifier.scopus | 2-s2.0-77949530420 | |
| dc.identifier.uri | http://hdl.handle.net/11449/219550 | |
| dc.language.iso | eng | |
| dc.relation.ispartof | Revista Brasileira de Farmacognosia | |
| dc.source | Scopus | |
| dc.subject | Antioxidant activity | |
| dc.subject | Molecular modeling | |
| dc.subject | Phenolic compounds | |
| dc.title | Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products | en |
| dc.type | Artigo |