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dc.contributor.authorAutorYañez, Osvaldo
dc.contributor.authorAutorOsorio, Manuel I.
dc.contributor.authorAutorOsorio, Edison
dc.contributor.authorAutorTiznado, William
dc.contributor.authorAutorRuíz, Lina
dc.contributor.authorAutorGarcía, Camilo
dc.contributor.authorAutorNagles, Orlando
dc.contributor.authorAutorSimirgiotis, Mario J.
dc.contributor.authorAutorCastañeta, Grover
dc.contributor.authorAutorAreche, Carlos
dc.contributor.authorAutorGarcía-Beltrán, Olimpo
dc.date.accessionedFecha ingreso2024-09-03T19:17:42Z
dc.date.availableFecha disponible2024-09-03T19:17:42Z
dc.date.issuedFecha publicación2023
dc.identifier.citationReferencia BibliográficaChemico-Biological Interactions, 372, 10 p.
dc.identifier.issnISSN0009-2797
dc.identifier.uriURLhttp://repositorio.udla.cl/xmlui/handle/udla/1349
dc.identifier.uriURLhttps://www.sciencedirect.com/journal/chemico-biological-interactions
dc.description.abstractResumenThe 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
dc.format.extentdc.format.extent10 páginas
dc.format.extentdc.format.extent4.366Mb
dc.format.mimetypedc.format.mimetypePDF
dc.language.isoLenguaje ISOeng
dc.publisherEditorElsevier
dc.rightsDerechosCreative Commons: Atribución-NoComercial-NoDerivadas (CC BY-NC-ND)
dc.sourceFuentesChemico-Biological Interactions
dc.subjectPalabras ClavesCyclic voltamperograms
dc.subjectPalabras ClavesCYPs enzymes
dc.subjectPalabras ClavesDFT methods
dc.subjectPalabras ClavesLichenic substances
dc.subject.lcshdc.subject.lcshAntioxidantes
dc.subject.lcshdc.subject.lcshProductos naturales
dc.titleTítuloAntioxidant activity and enzymatic of lichen substances: A study based on cyclic voltammetry and theoretical
dc.typeTipo de DocumentoArtículo
dc.udla.catalogadordc.udla.catalogadorCBM
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dc.identifier.doidc.identifier.doi10.1016/j.cbi.2023.110357
dc.facultaddc.facultadFacultad de Ingeniería y Negocios
dc.facultaddc.facultadFacultad de Ingeniería y Negocios


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