Exploring the Taste Characteristics and ACE-inhibitory Active Mechanism of Stropharia rugosoannulata Decapeptides Based on Virtual Screening, Molecular Docking, and Molecular Interactions

被引：0
|
作者：
Li W. [1 ,2 ]
Chen W. [1 ]
Ma H. [2 ]
Wu D. [1 ]
Zhang Z. [1 ]
Yang Y. [1 ]
机构：
[1] Institute of Edible Fungi, Shanghai Academy of Agricultural Sciences, Shanghai
[2] School of Food & Biological Engineering, Jiangsu University, Zhenjiang
来源：
Science and Technology of Food Industry | 2023年 / 44卷 / 20期
关键词：
ACE inhibition mechanism; molecular docking; molecular dynamics; molecular thermodynamics; Stropharia rugosoannulata decapeptides;
D O I：
10.13386/j.issn1002-0306.2022120208
中图分类号：
学科分类号：
摘要：
To explore the taste characteristics and potential biological activities of the decapeptides of Stropharia rugosoannulata, two decapeptides (RIEDNLVIIR and SLPIKPRVPF) were selected to predict and validate the taste-presenting properties and ACE inhibitory activity mechanism by using virtual screening, molecular docking, and molecular interactions techniques. The results showed that the two decapeptides of S. rugosoannulata all had salty and umami tastes and ACE-inhibited peptide fragments. RIEDNLVIR had a salty taste, and SLPIKPRVPF had an umami taste. Two decapeptides of S. rugosoannulata could strongly bind to ACE receptors to form hydrogen bonds and electrostatic interactions. The in vitro activity validation results showed that the salty decapeptide RIEDNLVIIR inhibited the ACE well with an IC50 value of 0.012 mg/mL. The molecular interaction thermodynamics and kinetics results showed that the binding between RIEDNLVIR and ACE receptor was the specific binding of enthalpy-driven reaction. The results of virtual screening activity prediction, in vitro activity validation, and molecular docking and molecular interactions for ACE inhibition mechanism analysis were consistent. The study provides a theoretical basis for understanding the taste characteristics and ACE inhibition mechanism of S. rugosoannulata decapeptides and lays a foundation for applying the decapeptides with ACE inhibitory activity in healthy condiments and functional products. © 2023 Science and Technology of Food Industry. All rights reserved.
引用
收藏
页码：11 / 16
页数：5
相关论文
共 36 条
  • [1] LI W, CHEN W C, MA H L, Et al., Ultrasonic preparation of Stropharia rugosoannulata peptides and analysis of their taste characteristics and pharmacological activities[J], Acta Edulis Fungi, 29, 3, (2022)
  • [2] FRAGASSO G, MARANTA F, MONTANARO C, Et al., Pa-thophysiologic therapeutic targets in hypertension: A cardiological point of view[J], Expert Opinion on Therapeutic Targets, 16, 2, (2012)
  • [3] XUE L, YIN R X, HOWELL K, Et al., Activity and bioavailability of food protein-derived angiotensin-I-converting enzyme-inhibitory peptides[J], Comprehensive Reviews in Food Science and Food Safety, 20, 2, pp. 1150-1187, (2021)
  • [4] LI W, CHEN W C, MA H L, Et al., Structural characterization and angiotensin-converting enzyme (ACE) inhibitory mechanism of Stropharia rugosoannulata mushroom peptides prepared by ultrasound[J], Ultrasonics Sonochemistry, 88, (2022)
  • [5] LI W, CHEN W C, MA H L, Et al., Study on the relationship between structure and taste activity of the umami peptide of Stropharia rugosoannulata prepared by ultrasound[J], Ultrasonics Sonochemistry, 90, (2022)
  • [6] ZHANG Y Y, DAI Z J, ZHAO X J, Et al., Deep learning drives efficient discovery of novel antihypertensive peptides from soybean protein isolate, Food Chemistry, 404, (2023)
  • [7] XIONG Y Z, GAO X C, PAN D D, Et al., A strategy for screening novel umami dipeptides based on common feature pharmacophore and molecular docking[J], Biomaterials, 288, (2022)
  • [8] YU Z P, CAO Y X, KAN R T, Et al., Identification of egg protein-derived peptides as xanthine oxidase inhibitors: Virtual hydrolysis, molecular docking, and in vitro activity evaluation[J], Food Science and Human Wellness, 11, 6, pp. 1591-1597, (2022)
  • [9] ZHANG B Y, LIU J B, WEN H D, Et al., Structural requirements and interaction mechanisms of ACE inhibitory peptides: Molecular simulation and thermodynamics studies on LAPYK and its modified peptides[J], Food Science and Human Wellness, 11, 6, pp. 1623-1630, (2022)
  • [10] CAO S M, WANG Z X, XING L J, Et al., Bovine bone gelatin-derived peptides: Food processing characteristics and evaluation of antihypertensive and antihyperlipidemic activities[J], Journal of Agricultural and Food Chemistry, 70, pp. 9877-9887, (2022)
1234