Combining molecular docking and molecular dynamics simulation to discover four novel umami peptides from tuna skeletal myosin with sensory evaluation validation.

IF 8.5 1区 农林科学 Q1 CHEMISTRY, APPLIED Food Chemistry Pub Date : 2023-08-01 DOI:10.2139/ssrn.4364231
Shuai Zhao, Shuang-shuang Ma, Yuanyue Zhang, Ming Gao, Zhenyu Luo, Shengbao Cai
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引用次数: 1

Abstract

Umami peptides are an important component of food flavoring agents and have high nutritional value. This work aimed to identify umami peptides from tuna skeletal myosin using a new model method of computer simulation, explore their umami mechanism, and further validate the umami tastes with sensory evaluation. Umami peptides LADW, MEIDD, VAEQE, and EEAEGT were discovered, and all of them bound to taste type 1 receptor 1 and receptor 3 via hydrogen bonds and van der Waals forces to form stable complexes. LADW exhibited the best affinity energy and binding capability. Sensory evaluation and electronic tongue confirmed that all peptides possessed an umami taste, and LADW exhibited the strongest umami intensity. This study not only explored four novel umami peptides to improve the value of tuna skeletal myosin but also provided a new method for the rapid discovery of umami peptides.
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结合分子对接和分子动力学模拟,从金枪鱼骨骼肌蛋白中发现四种新的鲜味肽,并进行感官评价验证。
鲜味肽是食品调味剂的重要组成部分,具有很高的营养价值。本研究旨在利用计算机模拟的新模型方法鉴定金枪鱼骨骼肌蛋白中的鲜味肽,探索其鲜味机制,并进一步通过感官评价验证其鲜味味道。发现了鲜味肽LADW、MEIDD、VAEQE和EEAEGT,它们都通过氢键和范德华力与味觉1型受体1和受体3结合,形成稳定的配合物。LADW表现出最好的亲和力和结合能力。感官评价和电子舌证实所有肽均具有鲜味,其中LADW表现出最强的鲜味强度。本研究不仅探索了四种新的鲜味肽,提高了金枪鱼骨骼肌蛋白的价值,而且为鲜味肽的快速发现提供了一种新的方法。
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来源期刊
Food Chemistry
Food Chemistry 工程技术-食品科技
CiteScore
16.30
自引率
10.20%
发文量
3130
审稿时长
122 days
期刊介绍: Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.
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