Liu Dongyin, Xu Yuan, Zhang Xin, Yin Fawen, Cao Jun, Liu Zhongyuan, Zhou Dayong, Feng Aiguo, Li Chuan
Hainan International Joint Research Center for Innovative Utilization of Tropical Seafood Resources, School of Food Science and Engineering, Hainan University, Haikou 570228, China.
School of Food Science and Technology, Dalian Polytechnic University, Dalian 116034, China.
Foods. 2025 Aug 20;14(16):2890. doi: 10.3390/foods14162890.
Peptides derived from protein sources in food exhibit a diverse array of biological activities. The screening, preparation, and functional investigation of bioactive peptides have become a focal area of research. This review summarizes the status of peptide activity mining, including the latest research progress in protein sources, peptide functions, and processing conditions. It critically evaluates the limitations of current bioactive peptide screening methods, including the drawbacks of traditional methods and molecular simulations. The potential of using molecular simulation for the virtual screening of potentially bioactive peptides is summarized. This includes virtual enzymatic digestion, molecular docking, simulation of non-thermal processing technologies, and the construction of organelle/cell models. The driving role of artificial intelligence in molecular simulation is also discussed. In addition, the structural information, mechanism, and structural analysis technique of action of the popular target proteins of foodborne bioactive peptides are summarized to provide a better reference for virtual-reality combinations.
源自食物中蛋白质来源的肽具有各种各样的生物活性。生物活性肽的筛选、制备和功能研究已成为研究的重点领域。本综述总结了肽活性挖掘的现状，包括蛋白质来源、肽功能和加工条件方面的最新研究进展。它批判性地评估了当前生物活性肽筛选方法的局限性，包括传统方法和分子模拟的缺点。总结了使用分子模拟进行潜在生物活性肽虚拟筛选的潜力。这包括虚拟酶消化、分子对接、非热加工技术模拟以及细胞器/细胞模型的构建。还讨论了人工智能在分子模拟中的推动作用。此外，总结了食源生物活性肽常见靶蛋白的结构信息、作用机制和结构分析技术，以便为虚拟现实组合提供更好的参考。
