Gallic acid as a Sestrin (SESN2) activator and potential obesity therapeutic agent: a molecular docking study

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dc.creatorJaciara Neves Sousa
dc.creatorLorena Dos Reis Pereira Queiroz
dc.creatorAlfredo Maurício Batista de Paula
dc.creatorAndré Luiz Sena Guimarães
dc.creatorCaroline Honaiser Lescano
dc.creatorCharles Martins Aguilar
dc.creatorIvan Pires de Oliveira
dc.creatorSérgio Henrique Sousa Santos
dc.date.accessioned2024-09-24T12:49:31Z
dc.date.accessioned2025-09-08T23:23:42Z
dc.date.available2024-09-24T12:49:31Z
dc.date.issued2023
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.description.sponsorshipOutra Agência
dc.identifier.doihttps://doi.org/10.1016/j.gene.2023.147683
dc.identifier.issn0378-1119
dc.identifier.urihttps://hdl.handle.net/1843/76839
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofGene
dc.rightsAcesso Restrito
dc.subjectÁcido gálico
dc.subjectPolímeros
dc.subjectProteinas
dc.subject.otherÁcido gálico
dc.subject.otherPolímeros
dc.subject.otherProteinas
dc.titleGallic acid as a Sestrin (SESN2) activator and potential obesity therapeutic agent: a molecular docking study
dc.title.alternativeÁcido gálico como ativador de Sestrina (SESN2) e potencial agente terapêutico para obesidade: um estudo de encaixe molecular
dc.typeArtigo de periódico
local.citation.epage8
local.citation.spage1
local.citation.volume883
local.description.resumoSestrins (SESNs) are a family of evolutionarily conserved proteins among mammals. They have several body homeostatic functions such as antioxidant, metabolic, and anti-aging, and are required to regenerate hyperoxidized forms of peroxiredoxins and reactive oxygen species. Sestrin 2 has been studied as a therapeutic agent in obesity treatment. Gallic acid (GA) is a triphenolic compound with beneficial biological activities including anti-inflammatory, antidiabetic, antihypertensive, and antioxidant effects. Recent studies demonstrated the GA's ability to reduce body weight gain and improve glycemic parameters. In this sense, the present study aims to investigate the GA activating potential of Sestrin using the molecular docking method. The 3D structure of gallic acid was retrieved from the NCBI PubChem database and the chemical structure of the Sestrin2 protein from the RCSB Protein Data Bank (5DJ4). The docking calculus was performed via UCSF Chimera and AutoDock Vinaprograms. The results showed that amino acids Arg390, Glu451, Trp444, Thr386, Arg448, Thr374, Tyr375, Asn376, Thr377, Leu389, His454, Ser450, His86, and Val455 are very important for GA stabilization, resembling the interactions that permit Leucine to activate SESN2. In this context, the obesity therapeutic property of GA can be understood from a Sestrin activating process through amino acid metabolism.
local.publisher.countryBrasil
local.publisher.departmentICA - INSTITUTO DE CIÊNCIAS AGRÁRIAS
local.publisher.initialsUFMG
local.url.externahttps://www.sciencedirect.com/science/article/pii/S0378111923005243?via%3Dihub

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