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Updated: Jul 16, 2026

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
Published on: January 26, 2024
Research Progress on Intelligent Prediction, Debittering Technologies, and Multi-Dimensional Evaluation for Bitter
Jun-Tong Wang1,2,3, Cheng Luo1, Cai-Xia Jiang4,5
1College of Food Science, Heilongjiang Bayi Agricultural University, Daqing 163319, China.
Abstract:
Bioactive peptides have health benefits, but the intense bitterness associated with their hydrolysis severely restricts their industrial applications. This paper systematically constructs a collaborative theoretical framework that integrates intelligent prediction, targeted debittering, and multi-dimensional evaluation. Firstly, it reviews the core applications of deep learning (such as quantitative structure-activity relationship (QSAR) and graph convolutional network (GCN)) combined with molecular docking technology in the high-throughput identification of bitter peptides and the analysis of target receptor interaction mechanisms. Secondly, it discusses how artificial intelligence and computational simulation can improve the efficiency of traditional debittering processes, emphasizing the advantages of multifunctional composite wall materials in the targeted encapsulation and delivery of bitter peptides, as well as the metabolic regulatory mechanisms behind controlling microbial fermentation for the debittering of specific peptide substrates. Finally, to provide a high-fidelity data closed loop for artificial intelligence (AI) models, a three-dimensional cross-validation system integrating standardized quantitative sensory evaluation and biomimetic electronic tongues was established. Future research should focus on developing large models for flavor generation to drive the green and targeted creation of low-bitterness and highly active peptides.
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