食品与发酵工业 >

2024 , Vol. 50 >Issue 19: 180 - 190

DOI: https://doi.org/10.13995/j.cnki.11-1802/ts.040013

研究报告

玉米肽结构鉴定及预防酒精性肝损伤肽的虚拟筛选

  • 孟甘露 ,
  • 欧丽明 ,
  • 张新雪 ,
  • 刘睿 ,
  • 王华蕾 ,
  • 唐艳斌 ,
  • 刘文颖
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  • 1(中国食品发酵工业研究院有限公司,北京市蛋白功能肽工程技术研究中心,北京 100015)
    2(中国疾病预防控制中心营养与健康所,国家卫生计生委微量元素重点实验室,北京 100050)
第一作者:硕士,助理工程师(唐艳斌副研究员和刘文颖高级工程师为共同通信作者,E-mail:tangyb@ninh.chinacdc.cn;wenyingliu888@126.com)

收稿日期: 2024-05-27

  修回日期: 2024-07-02

  网络出版日期: 2024-10-29

基金资助

中国轻工集团有限公司科技创新基金项目(ZQ2022YY03)

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Structural identification of corn peptides and virtual screening of peptides for the prevention of alcoholic liver injury

  • MENG Ganlu ,
  • OU Liming ,
  • ZHANG Xinxue ,
  • LIU Rui ,
  • WANG Hualei ,
  • TANG Yanbin ,
  • LIU Wenying
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  • 1(China National Research Institute of Food and Fermentation Industries,Beijing Engineering Research Center of Protein & Functional Peptides, Beijing 100015, China)
    2(National Institute for Nutrition and Health, Chinese Center for Disease Control and Prevention, Key Laboratory of Trace Element Nutrition, National Health and Family Planning Commission of the People's Republic of China, Beijing 100050, China)

Received date: 2024-05-27

  Revised date: 2024-07-02

  Online published: 2024-10-29

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摘要

为探究玉米肽对酒精性肝损伤的预防作用,利用高效液相色谱串联质谱方法鉴定玉米肽的组成及序列,并将鉴定出的玉米肽运用分子对接手段筛选具有预防酒精性肝损伤活性的肽段,同时对肽段进行药代动力学、毒理学模拟。结果显示,经产物离子扫描及多反应监测定量分析,从玉米肽中鉴定出3条肽段Ile-Pro(IP)、Ala-Pro(AP)、Val-Ala-Tyr-Pro-Glu(VAYPE)。将肽段分别与乙醇脱氢酶(alcohol dehydrogenase, ADH)、乙醛脱氢酶2*2(aldehyde dehydrogenase 2*2, ALDH2*2)受体进行分子对接,经分析各对接结合能及相互作用力,发现IP、VAYPE均能较好地与ADH及ALDH结合,因此IP、VAYPE均可能通过加快酒精降解来预防酒精性肝损伤。经毒理学分析,3个肽段均无毒性,没有致癌性、致敏性、致突变性,且水溶性较好。该文使用快速便捷的分子对接法筛选了具有生物活性的肽段,较传统酶解法更为高效,为动、植物源生物活性肽的筛选提供了思路,并为玉米肽预防酒精性肝损伤活性的深入研究奠定了基础。

关键词： 玉米肽; 肽段鉴定; 酒精性肝损伤; 分子对接

本文引用格式

孟甘露 , 欧丽明 , 张新雪 , 刘睿 , 王华蕾 , 唐艳斌 , 刘文颖 . 玉米肽结构鉴定及预防酒精性肝损伤肽的虚拟筛选[J]. 食品与发酵工业, 2024 , 50(19) : 180 -190 . DOI: 10.13995/j.cnki.11-1802/ts.040013

Abstract

To investigate the preventive effects of corn peptides on alcoholic liver injury, high-performance liquid chromatography-tandem mass spectrometry was used to identify the composition and sequence of corn peptides.And the peptides with preventive activity of alcoholic liver injury were screened from the identified corn peptides by molecular coupling method and pharmacokinetic and toxicological simulations of the peptides were also performed.The results showed that three peptides, Ile-Pro (IP), Ala-Pro (AP), and Val-Ala-Tyr-Pro-Glu (VAYPE), were identified from the corn peptides by product ion scanning and quantitative analysis with multiple reaction monitoring.The peptides were molecularly docked to the receptors of alcohol dehydrogenase (ADH) and aldehyde dehydrogenase 2*2 (ALDH2*2).After analyzing the binding energies and the interaction forces of each docking, it was found that IP and VAYPE can bind with the receptors of ADH and ALDH well.Therefore, both IP and VAYPE can prevent alcoholic liver injury by accelerating alcohol degradation.After toxicological analysis, all three peptides were non-toxic, non-carcinogenic, non-sensitizing, non-mutagenic, and had good water solubility.In this paper, a fast and convenient molecular docking method was used for screening the peptides, which is more efficient than the traditional enzymatic method.Moreover, the method provided new thoughts for the screening of bio-active peptides of animal and plant origin, and this paper lays the foundation for the in-depth study of the activity of corn peptides in the prevention of alcoholic liver injury.

Key words： corn peptide; peptide identification; alcoholic liver injury; molecular docking

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