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

Vista sencilla de ítem
dc.contributor.authorYanez, Osvaldo
dc.contributor.authorI.Osorio, Manuel
dc.contributor.authorOsorio, Edison
dc.contributor.authorRuíz, Lina
dc.contributor.authorTiznado, William
dc.contributor.authorGarcía, Camilo
dc.contributor.authorOrlando, Nagles,
dc.contributor.authorMario J, Simirgiotis,
dc.contributor.authorGrover, Castañeta,
dc.contributor.authorOlimpo, García-Beltrán,
dc.date.accessioned2023-04-24T15:23:14Z
dc.date.available2023-04-24T15:23:14Z
dc.date.issued2023-02
dc.descriptionIDEXACIÓN:SCOPUSes
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 1–4 presented slopes close to the Nernst constant of 0.059 V, indicating a 2H+/2e− 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+/2e− 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. © 2023 The Authorses
dc.identifier.citationChemico-Biological InteractionsOpen AccessVolume 37225 February 2023 Article number 110357es
dc.identifier.issn00092797
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/48854
dc.language.isoenes
dc.subjectAntioxidant; Cyclic voltamperograms; CYPs enzymes; DFT methods; Lichenic substances; Natural productses
dc.titleAntioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoreticales
dc.typeArtículoes
Archivos
Bloque original
Mostrando 1 - 1 de 1
No hay miniatura disponible
Nombre:
Osvaldo- Yañez-Antioxidant activity and enzymatic of lichen substances A study based on.pdf
Tamaño:
4.37 MB
Formato:
Adobe Portable Document Format
Descripción:
TEXTO COMPLETO EN INGLÉS
Descargar
Bloque de licencias
Mostrando 1 - 1 de 1
No hay miniatura disponible
Nombre:
license.txt
Tamaño:
1.71 KB
Formato:
Item-specific license agreed upon to submission
Descripción:
Descargar
Colecciones
FCE - Artículos de Revista