Formation and non-covalent interactions of binary and ternary complexes based on β-casein, Lentinus edodes mycelia polysaccharide, and taxifolin.

Polyphenols, polysaccharides, and proteins are essential nutrients and functional substances present in food, and when present together these components often interact with each other to influence their structure and function. Proteins and polysaccharides are also excellent carrier materials for polyphenols. In this context, this study investigated the non-covalent interactions between taxifolin (TAX), Lentinus edodes mycelia polysaccharide (LMP), and β-casein (β-CN). β-CN and LMP spontaneously formed nanocomplexes by hydrogen bonds and van der Waals forces. The quenching constant and binding constant were (1.94 ± 0.02) × 10 L mol s and (3.22 ± 0.17) × 10 L mol at 298 K, respectively. The altered conformation of β-CN, resulting from the binding to LMP, affected the interaction with TAX. LMP significantly enhanced the binding affinity of TAX and β-CN, but did not change the static quenching binding mode. The binding constant for β-CN-TAX was (3.96 ± 0.09) × 10 L mol, and that for the interaction between TAX and β-CN-LMP was (32.06 ± 0.05) × 10 L mol. In summary, β-CN-LMP nanocomplexes have great potential as a nanocarrier for polyphenols, and this study provides a theoretical foundation for the rational design of non-covalent complexes involving LMP and β-CN, both in binary and ternary configurations.