In silico identification of peptides with PPARγ antagonism in protein hydrolysate from rice (Oryza sativa)

Ruíz López, Felipe de Jesús y Espinosa Rodríguez, Bryan Alejandro y Silva Mares, David Arturo y González Martínez, Blanca Edelia y López Cabanillas Lomelí, Manuel y Méndez López, Luis Fernando y Vázquez Rodríguez, Jesús Alberto (2023) In silico identification of peptides with PPARγ antagonism in protein hydrolysate from rice (Oryza sativa). Pharmaceuticals, 16 (3). pp. 1-11. ISSN 1424-8247

Vista previa

Texto
27718.pdf - Versión Publicada
Available under License Creative Commons Attribution Non-commercial No Derivatives.
Download (1MB) | Vista previa

URL o página oficial: https://www.mdpi.com/journal/pharmaceuticals

Resumen

At least half the population in industrialized countries suffers from obesity due to excessive accumulation of adipose tissue. Recently, rice (Oryza sativa) proteins have been considered valuable sources of bioactive peptides with antiadipogenic potential. In this study, the digestibility and bioaccessibility in vitro of a novel protein concentrate (NPC) from rice were determined through INFOGEST protocols. Furthermore, the presence of prolamin and glutelin was evaluated via SDSPAGE, and their potential digestibility and the bioactivity of ligands against peroxisome proliferatoractivated receptor gamma (PPARγ) were explored by BIOPEP UWM and HPEPDOCK. For the top candidates, molecular simulations were conducted using Autodock Vina to evaluate their binding affinity against the antiadipogenic region of PPARγ and their pharmacokinetics and drug-likeness using SwissADME. Simulating gastrointestinal digestion showed a recovery of 43.07% and 35.92% bioaccessibility. The protein banding patterns showed the presence of prolamin (57 kDa) and glutelin (12 kDa) as the predominant proteins in the NPC. The in silico hydrolysis predicts the presence of three and two peptide ligands in glutelin and prolamin fraction, respectively, with high affinity for PPARγ (≤160). Finally, the docking studies suggest that the prolamin-derived peptides QSPVF and QPY (−6.38 & −5.61 kcal/mol, respectively) have expected affinity and pharmacokinetic properties to act as potential PPARγ antagonists. Hence, according to our results, bioactive peptides resulting from NPC rice consumption might have an antiadipogenic effect via PPARγ interactions, but further experimentation and validation in suitable biological model systems are necessary to gain more insight and to provide evidence to support our in silico findings.

Tipo de elemento:

Article

Palabras claves no controlados:

Hidrolizados de proteínas; Péptidos bioactivos; Proteína de arroz; Docking; PPARγ

Materias:

R Medicina > RA Aspectos Públicos de la Medicina

Divisiones:

Salud Pública y Nutrición

Usuario depositante:

Editor Repositorio

Creadores:

Creador	Email	ORCID
Ruíz López, Felipe de Jesús	NO ESPECIFICADO	NO ESPECIFICADO
Espinosa Rodríguez, Bryan Alejandro	NO ESPECIFICADO	NO ESPECIFICADO
Silva Mares, David Arturo	NO ESPECIFICADO	NO ESPECIFICADO
González Martínez, Blanca Edelia	NO ESPECIFICADO	NO ESPECIFICADO
López Cabanillas Lomelí, Manuel	NO ESPECIFICADO	NO ESPECIFICADO
Méndez López, Luis Fernando	NO ESPECIFICADO	NO ESPECIFICADO
Vázquez Rodríguez, Jesús Alberto	jesus.vazquezrdz@uanl.edu.mx	orcid.org/0000-0002-0754-5084