In silico interactions of the components from the Schinus terebinthifolius extract with human Tyrosinase

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dc.creatorBezerra, Julia N.
dc.creatorSpadeto, João Paulo M.
dc.creatorDaré, Joyce K.
dc.creatorAlmeida, Wanda Pereira
dc.creatorFreitas, Matheus P.
dc.creatorCormanich, Rodrigo A.
dc.date.accessioned2022-11-09T15:31:06Z
dc.date.available2022-11-09T15:31:06Z
dc.date.issued2022-08-03
dc.description.abstractThe anti-tyrosinaseactivityof the leaf extractofSchinusterebinthifolius,also knownas Brazilianpeppertree,was eval-uated using multiplein silicoapproaches,such as molecularhomology,moleculardocking,MM-GBSA,moleculardynamics,MM-PBSA,QSAR, and skin permeabilitypredictions.With thesecomputationaltools, the compoundsthat downregulatetyrosi-nase enzymeactivitycould be evaluated,and more potentmoleculescould be identified.The results indicatedthat variouscompounds,especiallyluteolin,are accountablefor the anti-tyrosinaseactivity ofS. terebinthifolius.For cosmeticapplication,furtherstudieswith luteolinare especiallyrecommended,forhavingpresenteda good performanceboth in theoreticalinhibition(30.92kJmol1) and skin permeability(LogKp=6.62 cm1).pt_BR
dc.identifier.citationBEZERRA, J. N. et al. In silico interactions of the components from the Schinus terebinthifolius extract with human Tyrosinase. ChemPlusChem, [S.l.], v. 87, n. 8, p. 1-12, Aug. 2022. DOI: 10.1002/cplu.202200109.pt_BR
dc.identifier.urihttps://repositorio.ufla.br/handle/1/55454
dc.identifier.urihttps://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202200109pt_BR
dc.languageen_USpt_BR
dc.publisherChemistry Europept_BR
dc.rightsopenAccesspt_BR
dc.sourceChemPlusChempt_BR
dc.subjectSchinus terebinthifoliuspt_BR
dc.subjectBrazilian peppertreept_BR
dc.subjectLuteolinpt_BR
dc.titleIn silico interactions of the components from the Schinus terebinthifolius extract with human Tyrosinasept_BR
dc.typeArtigopt_BR

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