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

Autor: Sousa JN; Laboratory of Health Science, Postgraduate Program in Health Science, UniversidadeEstadual de Montes Claros (Unimontes), Minas Gerais, Brazil., Queiroz LDRP; Laboratory of Health Science, Postgraduate Program in Health Science, UniversidadeEstadual de Montes Claros (Unimontes), Minas Gerais, Brazil., de Paula AMB; Laboratory of Health Science, Postgraduate Program in Health Science, UniversidadeEstadual de Montes Claros (Unimontes), Minas Gerais, Brazil., Guimarães ALS; Laboratory of Health Science, Postgraduate Program in Health Science, UniversidadeEstadual de Montes Claros (Unimontes), Minas Gerais, Brazil., Lescano CH; Institute of Agricultural Sciences (ICA), Food Engineering, Universidade Federal de Minas Gerais (UFMG), Montes Claros, Minas Gerais, Brazil., Aguilar CM; Institute of Agricultural Sciences (ICA), Food Engineering, Universidade Federal de Minas Gerais (UFMG), Montes Claros, Minas Gerais, Brazil., Pires de Oliveira I; Institute of Agricultural Sciences (ICA), Food Engineering, Universidade Federal de Minas Gerais (UFMG), Montes Claros, Minas Gerais, Brazil., Santos SHS; Laboratory of Health Science, Postgraduate Program in Health Science, UniversidadeEstadual de Montes Claros (Unimontes), Minas Gerais, Brazil; Institute of Agricultural Sciences (ICA), Food Engineering, Universidade Federal de Minas Gerais (UFMG), Montes Claros, Minas Gerais, Brazil. Electronic address: sergiosousas@hotmail.com.
Jazyk: angličtina
Zdroj: Gene [Gene] 2023 Oct 20; Vol. 883, pp. 147683. Date of Electronic Publication: 2023 Aug 02.
DOI: 10.1016/j.gene.2023.147683
Abstrakt: Sestrins (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.
Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2023 Elsevier B.V. All rights reserved.)
Databáze: MEDLINE
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