Antioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoretical

Vista sencilla de Ć­tem
dc.contributor.authorYaƱez, O.
dc.contributor.authorOsorio, M.
dc.contributor.authorOsorio, E.
dc.contributor.authorTiznado, W.
dc.contributor.authorRuĆ­z, L.
dc.contributor.authorGarcĆ­a, C.
dc.contributor.authorNagles, O.
dc.contributor.authorSimirgiotisx, M.
dc.contributor.authorCastaƱeta, G.
dc.contributor.authorAreche, C.
dc.contributor.authorGarcƭa-BeltrƔn, O.
dc.date.accessioned2024-09-12T00:28:57Z
dc.date.available2024-09-12T00:28:57Z
dc.date.issued2023-02
dc.descriptionTEXTO COMPLETO EN INGLƉS
dc.description.abstractThe antioxidant activity of nine lichen substances, including methylatrarate (1), methyl haematommate (2), lobaric acid (3), fumarprotocetraric acid (4), sphaerophorin (5), subsphaeric acid (6), diffractaic acid (7), barbatolic acid (8) and salazinic acid (9) has been determined through cyclic voltammetry. The compounds 1ā€“4 presented slopes close to the Nernst constant of 0.059 V, indicating a 2H+/2eāˆ’ relation between protons and electrons, as long as the compounds 5, 6, 7, 8, and 9 present slopes between 0.037 V and 0.032 V, indicating a 1H+/2eāˆ’ relation between protons and electrons. These results show a high free radical scavenging activity by means of the release of H+, suggesting an important antioxidant capacity of these molecules. Theoretical calculations of hydrogen bond dissociation enthalpies (BDE), proton affinities (PA), and Proton Transfer (PT) mechanisms, at M06-2x/6-311+G(d,p) level complement the experimental results. Computations support that the best antioxidant activity is obtained for the molecules (3, 4, 5, 6, 7 and 8), that have a carboxylic acid group close to a phenolic hydroxyl group, through hydrogen atomic transfer (HAT) and sequential proton loss electron transfer (SPLET) mechanisms. Additional computations were performed for modelling binding affinity of the lichen substances with CYPs enzymes, mainly CYP1A2, CYP51, and CYP2C9*2 isoforms, showing strong affinity for all the compounds described in this study.
dc.description.urihttps://www-sciencedirect-com.recursosbiblioteca.unab.cl/science/article/pii/S0009279723000248
dc.identifier.citationChemico-Biological Interactions, Volume 372 , 25 February 2023, 110357
dc.identifier.doihttps://doi.org/10.1016/j.cbi.2023.110357
dc.identifier.issn1872-7786
dc.identifier.urihttps://repositorio.unab.cl/handle/ria/60129
dc.language.isoen
dc.publisherElsevier
dc.rights.licenseAttribution-NonCommercial-NoDerivatives 4.0 International
dc.subjectLichenic substances
dc.subjectAntioxidant
dc.subjectCyclic voltamperograms
dc.subjectDFT methods
dc.subjectCYPs enzymes
dc.subjectNatural products
dc.titleAntioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoretical
dc.typeArtĆ­culo
Archivos
Bloque original
Mostrando 1 - 1 de 1
No hay miniatura disponible
Nombre:
YaƱez_Antioxidant activity and enzymatic of lichen substances.pdf
TamaƱo:
4.37 MB
Formato:
Adobe Portable Document Format
Descargar
Bloque de licencias
Mostrando 1 - 1 de 1
No hay miniatura disponible
Nombre:
license.txt
TamaƱo:
1.71 KB
Formato:
Item-specific license agreed upon to submission
DescripciĆ³n:
Descargar
Colecciones
FCE - ArtĆ­culos de Revista