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来自美藤果粕的抗氧化肽:体外、离体和计算机模拟方法

Antioxidant Peptides from Sacha Inchi Meal: An In Vitro, Ex Vivo, and In Silico Approach.

作者信息

Torres-Sánchez Erwin, Lorca-Alonso Iván, González-de la Fuente Sandra, Hernández-Ledesma Blanca, Gutiérrez Luis-Felipe

机构信息

Facultad de Ciencias Agrarias, Universidad Nacional de Colombia Sede Bogotá, Carrera 30 No. 45-03, Bogotá 111321, Colombia.

Centro de Biología Molecular Severo Ochoa (CBM) Consejo Superior de Investigaciones Científicas (CSIC)-Universidad Autónoma de Madrid (UAM), Nicolás Cabrera 1, 28049 Madrid, Spain.

出版信息

Foods. 2024 Dec 5;13(23):3924. doi: 10.3390/foods13233924.

DOI:10.3390/foods13233924
PMID:39682997
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11640933/
Abstract

Plant-derived antioxidant peptides safeguard food against oxidation, helping to preserve its flavor and nutrients, and hold significant potential for use in functional food development. Sacha Inchi Oil Press-Cake (SIPC), a by-product of oil processing, was used to produce Sacha Inchi Protein Concentrate (SPC) in vitro, hydrolyzed by a standardized static INFOGEST 2.0 protocol. This study aimed to integrate in vitro, ex vivo, and in silico methods to evaluate the release of antioxidant peptides from SPC during gastrointestinal digestion. In vitro and ex vivo methods were used to investigate the antioxidant potential of SPC digests. Bioinformatics tools (find-pep-seq, AnOxPP, AnOxPePred-1.0, PepCalc, MLCPP 2.0, Pasta 2.0, PlifePred, Rapid Peptide Generator, and SwissADME) were employed to characterize antioxidant peptides. The gastric and intestinal digests exhibited higher ABTS and ORAC values than those of SPC. Under basal conditions, gastric digest fractions GD1, GD2, and GD3 (<3, 3-10, and >10 kDa, respectively), separated by ultrafiltration, significantly reduced the ROS levels in the RAW264.7 macrophages while, under LPS stimulation, GD1 (16 µg/mL) and GD2 (500 and 1000 µg/mL) reversed the induced damage. From the de novo peptidome determined, 416 peptides were selected based on their resistance to digestion. Through in silico tools, 315 resistant peptides were identified as antioxidants. Despite low predicted bioavailability, the peptides SVMGPYYNSK, EWGGGGCGGGGGVSSLR, RHWLPR, LQDWYDK, and ALEETNYELEK showed potential for extracellular targets and drug delivery. In silico digestion yielded the sequences SVMGPY, EW, GGGGCGGGGGVSS, PQY, HGGGGGG, GGGG, HW, and SGGGY, which are promising free radical scavengers with increased bioavailability. However, these hypotheses require confirmation through chemical synthesis and further validation studies.

摘要

植物源抗氧化肽可保护食品免受氧化,有助于保持其风味和营养成分,在功能性食品开发中具有巨大的应用潜力。印加果油粕(SIPC)是油脂加工的副产品,通过标准化的静态INFOGEST 2.0方案在体外用于生产印加果浓缩蛋白(SPC),并进行水解。本研究旨在整合体外、离体和计算机模拟方法,以评估SPC在胃肠道消化过程中抗氧化肽的释放情况。采用体外和离体方法研究SPC消化物的抗氧化潜力。利用生物信息学工具(find-pep-seq、AnOxPP、AnOxPePred-1.0、PepCalc、MLCPP 2.0、Pasta 2.0、PlifePred、Rapid Peptide Generator和SwissADME)对抗氧化肽进行表征。胃和肠道消化物的ABTS和ORAC值高于SPC。在基础条件下,通过超滤分离得到的胃消化物组分GD1、GD2和GD3(分别为<3 kDa、3 - 10 kDa和>10 kDa)显著降低了RAW264.7巨噬细胞中的ROS水平,而在LPS刺激下,GD1(16 µg/mL)和GD2(500和1000 µg/mL)可逆转诱导损伤。根据从头测定的肽组,基于其对消化的抗性选择了416种肽。通过计算机模拟工具,鉴定出315种抗性肽为抗氧化剂。尽管预测的生物利用度较低,但肽SVMGPYYNSK、EWGGGGCGGGGGVSSLR、RHWLPR、LQDWYDK和ALEETNYELEK显示出针对细胞外靶点和药物递送的潜力。计算机模拟消化产生了序列SVMGPY、EW、GGGGCGGGGGVSS、PQY、HGGGGGG、GGGG、HW和SGGGY,这些都是具有更高生物利用度的有前途的自由基清除剂。然而,这些假设需要通过化学合成和进一步的验证研究来证实。

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