Novel Computational Approaches in the Discovery and Identification of Bioactive Peptides: A Bioinformatics Perspective

• Published in: Journal of agricultural and food chemistry Vol. 73; no. 22; pp. 13212 - 13228
• Main Authors: Li, Mengjiao, Chen, Mengting, Sun, Yizhen, Shi, Liu, Guo, Xiaojia, Chen, Sheng, Chen, Lang, Xiong, Guangquan, Sun, Weiqing, Gao, Ruichang, Ke, Liang, Wang, Lan, Wu, Wenjin
• Format: Journal Article
• Language: English
• Published: United States 24.05.2025
• Subjects: bioinformatics; computer simulation; cosmetics; food chemistry; medicine; peptides; quantitative structure-activity relationships; Computer simulation technology; Bioactive peptides; Bioinformatics; Mechanism; Machine learning
• ISSN: 0021-8561; 1520-5118; 1520-5118
• DOI: 10.1021/acs.jafc.5c03037

Bioactive peptides are protein molecules known for their specific biological functions, offering promising applications across various fields including medicine, food, and cosmetics. Traditional approaches to the investigation of bioactive peptides typically encompass extraction, separation, purification, identification, and experimental evaluation. However, these methodologies are frequently subject to human-related variables, which consequently lead to reduced efficiency and compromised accuracy. Bioinformatics techniques, including computer simulation screening, quantitative structure-activity relationship (QSAR) analysis, and machine learning, have emerged as powerful tools in the field of bioactive peptide research. These advanced methodologies not only enhance the efficiency of bioactive peptide screening but also provide valuable insights into the underlying mechanisms of action of these peptides. This review discusses the identification, analysis, and evaluation of bioactive peptides through innovative bioinformatics technology while also highlighting traditional techniques that have been developed and improved. This review provides robust theoretical support and valuable references for future research and applications involving bioactive peptides.