Optimization of enzymatic hydrolysis for generating potential multifunctional peptides from goat milk: Bioactivity evaluation, structural characterization and molecular interaction analysis.

IF 9.2 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry: X Pub Date : 2026-09-28 eCollection Date: 2026-10-01 DOI:10.1016/j.fochx.2026.104517

Xinru Yu, Guowei Shu, Wenjing Hu, Ge Zhang, Pian Xie, Kai Song, Guoliang Li

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引用次数: 0

Abstract

Food-derived bioactive peptides have attracted increasing interest for functional food development. In this study, goat milk proteins were enzymatically hydrolyzed to generate peptides with inhibitory activities against α-glucosidase (α-G), dipeptidyl peptidase-IV (DPP-IV), and xanthine oxidase (XO). Protease screening and response surface methodology were applied to optimize the composite hydrolysis process. The optimized goat milk hydrolysate exhibited inhibitory activities of 73.05 ± 1.38%, 88.63 ± 2.76%, and 80.69 ± 1.65% against α-G, DPP-IV, and XO, respectively. The active peptide fraction was further purified and analyzed by LC-MS/MS, identifying 24 peptide sequences. Bioinformatic screening highlighted LRF and FLPYPYY as potential multifunctional enzyme-inhibitory peptides. Molecular docking, 100 ns molecular dynamics simulations, and MM/PBSA analysis revealed favorable peptide-enzyme interactions and structural stability. This study provides an integrated enzymatic, analytical, and computational strategy for the discovery of goat milk-derived potential multifunctional bioactive peptides.

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羊奶水解制备潜在多功能肽的优化：生物活性评价、结构表征和分子相互作用分析。

食品来源的生物活性肽在功能性食品开发中受到越来越多的关注。本研究采用酶解法对羊奶蛋白进行水解制备了具有α-葡萄糖苷酶（α-G）、二肽基肽酶- iv （DPP-IV）和黄嘌呤氧化酶（XO）抑制活性的肽。采用蛋白酶筛选和响应面法对复合水解工艺进行优化。优化后的羊奶水解液对α-G、DPP-IV和XO的抑制活性分别为73.05±1.38%、88.63±2.76%和80.69±1.65%。对活性肽部分进行进一步纯化和LC-MS/MS分析，鉴定出24个肽序列。生物信息学筛选显示LRF和FLPYPYY是潜在的多功能酶抑制肽。分子对接、100 ns分子动力学模拟和MM/PBSA分析显示了良好的肽酶相互作用和结构稳定性。这项研究为发现羊奶衍生的潜在多功能生物活性肽提供了一个综合的酶、分析和计算策略。

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来源期刊

Food Chemistry: X CHEMISTRY, APPLIED-

CiteScore

4.90

自引率

6.60%

发文量

315

审稿时长

55 days

期刊介绍： Food Chemistry: X, one of three Open Access companion journals to Food Chemistry, follows the same aims, scope, and peer-review process. It focuses on papers advancing food and biochemistry or analytical methods, prioritizing research novelty. Manuscript evaluation considers novelty, scientific rigor, field advancement, and reader interest. Excluded are studies on food molecular sciences or disease cure/prevention. Topics include food component chemistry, bioactives, processing effects, additives, contaminants, and analytical methods. The journal welcome Analytical Papers addressing food microbiology, sensory aspects, and more, emphasizing new methods with robust validation and applicability to diverse foods or regions.