Coumarin-chalcone hybrids as inhibitors of MAO-B: Biological activity and in silico studies

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dc.contributor.authorMoya-Alvarado, Guillermo
dc.contributor.authorYañez, Osvaldo
dc.contributor.authorMorales, Nicole
dc.contributor.authorGonzález-González, Angélica
dc.contributor.authorAreche, Carlos
dc.contributor.authorNúñez, Marco Tulio
dc.contributor.authorFierro, Angélica
dc.contributor.authorGarcía-Beltrán, Olimpo
dc.date.accessioned2023-03-31T14:17:10Z
dc.date.available2023-03-31T14:17:10Z
dc.date.issued2021-04
dc.descriptionIndexación: Scopuses
dc.description.abstractFourteen coumarin-derived compounds modified at the C3 carbon of coumarin with an α,β-unsaturated ketone were synthesized. These compounds may be designated as chalcocoumarins (3-cinnamoyl-2H-chromen-2-ones). Both chalcones and coumarins are recognized scaffolds in medicinal chemistry, showing diverse biological and pharmacological properties among which neuro-protective activities and multiple enzyme inhibition, including mitochondrial enzyme systems, stand out. The evaluation of monoamine oxidase B (MAO-B) inhibitors has aroused considerable interest as therapeutic agents for neurodegenerative diseases such as Parkinson’s. Of the fourteen chalcocumarins evaluated here against MAO-B, ChC4 showed the strongest activity in vitro, with IC50 = 0.76 ± 0.08 µM. Computational docking, molecular dynamics and MM/GBSA studies, confirm that ChC4 binds very stably to the active rMAO-B site, explaining the experimental inhibition data. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.es
dc.description.urihttps://www.mdpi.com/1420-3049/26/9/2430
dc.identifier.citationMolecules Volume 26, Issue 922 April 2021 Article number 2430es
dc.identifier.doi10.3390/molecules26092430
dc.identifier.issn1420-3049
dc.identifier.urihttps://repositorio.unab.cl/xmlui/handle/ria/48090
dc.language.isoenes
dc.publisherMDPIes
dc.rights.licenseAtribución 4.0 Internacional (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/deed.es
dc.subjectChalcocoumarines
dc.subjectIn silico studieses
dc.subjectMAO-Bes
dc.subjectMolecular dynamicses
dc.subjectNeurodegenerative diseaseses
dc.titleCoumarin-chalcone hybrids as inhibitors of MAO-B: Biological activity and in silico studieses
dc.typeArtículoes
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