关键词: 蛋白质；活性成分；光谱方法；分子模拟技术；相互作用机制

Abstract: Protein is an important nutrient in the food system, and active ingredients (such as polyphenols, flavonoids, and terpenes) have a variety of physiological effects because of their unique chemical structures, such as antioxidant, antitumor, and chronic disease-preventive effects. They form complexes through covalent or noncovalent interactions, thus changing their functional structure, nutritional properties, and bioavailability. In this review, we summarize the application of multispectral methods, including ultraviolet-visible (UV-vis) absorption, fluorescence, Fourier transform infrared (FTIR), circular dichroism (CD) spectra, and molecular simulation techniques (molecular docking and molecular dynamics simulation) in the study of protein-active ingredient interaction. The principles, features, and examples of these techniques in the study of the interaction between protein and active ingredients are briefly described. This review also focuses on the application of molecular simulation in delivering active ingredients, regulating food flavor, and monitoring food quality based on protein-active ingredient systems, hoping to provide scientific reference for further study of the interaction between protein and active ingredients.

Key words: protein; active ingredients; spectral techniques; molecular simulation; interaction mechanism