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

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Título:	In silico interactions of the components from the Schinus terebinthifolius extract with human Tyrosinase
Palavras-chave:	Schinus terebinthifolius Brazilian peppertree Luteolin
Data do documento:	3-Ago-2022
Editor:	Chemistry Europe
Citação:	BEZERRA, 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.
Resumo:	The 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).
URI:	https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cplu.202200109 http://repositorio.ufla.br/jspui/handle/1/55454
Aparece nas coleções:	DQI - Artigos publicados em periódicos

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