{"title":"Application of molecular dynamics simulation in the field of food enzymes: improving the thermal-stability and catalytic ability.","authors":"Zhaolin Huang, Dawei Ni, Ziwei Chen, Yingying Zhu, Wenli Zhang, Wanmeng Mu","doi":"10.1080/10408398.2023.2238054","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":10767,"journal":{"name":"Critical reviews in food science and nutrition","volume":null,"pages":null},"PeriodicalIF":7.3000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Critical reviews in food science and nutrition","FirstCategoryId":"97","ListUrlMain":"https://doi.org/10.1080/10408398.2023.2238054","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2023/7/24 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}
引用次数: 0
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.
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.