Application of molecular dynamics simulation in the field of food enzymes: improving the thermal-stability and catalytic ability.

IF 7.3 1区 农林科学 Q1 FOOD SCIENCE & TECHNOLOGY Critical reviews in food science and nutrition Pub Date : 2024-11-01 Epub Date: 2023-07-24 DOI:10.1080/10408398.2023.2238054
Zhaolin Huang, Dawei Ni, Ziwei Chen, Yingying Zhu, Wenli Zhang, Wanmeng Mu
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Abstract

Enzymes can produce high-quality food with low pollution, high function, high acceptability, and medical aid. However, most enzymes, in their native form, do not meet the industrial requirements. Sequence-based and structure-based methods are the two main strategies used for enzyme modification. Molecular Dynamics (MD) simulation is a sufficiently comprehensive technology, from a molecular perspective, which has been widely used for structure information analysis and enzyme modification. In this review, we summarize the progress and development of MD simulation, particularly for software, force fields, and a standard procedure. Subsequently, we review the application of MD simulation in various food enzymes for thermostability and catalytic improvement was reviewed in depth. Finally, the limitations and prospects of MD simulation in food enzyme modification research are discussed. This review highlights the significance of MD simulation and its prospects in food enzyme modification.

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分子动力学模拟在食品酶领域的应用:提高热稳定性和催化能力。
酵素可以生产低污染、高功能、高接受度和医疗辅助的优质食品。然而,大多数酶的原生形态并不符合工业要求。基于序列和基于结构的方法是酶改性的两种主要策略。从分子角度来看,分子动力学(MD)模拟是一种足够全面的技术,已被广泛用于结构信息分析和酶修饰。在这篇综述中,我们总结了分子动力学模拟的进展和发展,特别是软件、力场和标准程序。随后,我们回顾了 MD 模拟在各种食品酶热稳定性和催化改进中的应用,并进行了深入探讨。最后,讨论了 MD 模拟在食品酶改性研究中的局限性和前景。本综述强调了 MD 模拟在食品酶改性中的意义及其前景。
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来源期刊
CiteScore
22.60
自引率
4.90%
发文量
600
审稿时长
7.5 months
期刊介绍: Critical Reviews in Food Science and Nutrition serves as an authoritative outlet for critical perspectives on contemporary technology, food science, and human nutrition. With a specific focus on issues of national significance, particularly for food scientists, nutritionists, and health professionals, the journal delves into nutrition, functional foods, food safety, and food science and technology. Research areas span diverse topics such as diet and disease, antioxidants, allergenicity, microbiological concerns, flavor chemistry, nutrient roles and bioavailability, pesticides, toxic chemicals and regulation, risk assessment, food safety, and emerging food products, ingredients, and technologies.
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