Effects and interaction mechanism of soybean 7S and 11S globulins on anthocyanin stability and antioxidant activity during in vitro simulated digestion

The objective of this study was to investigate the effects of soybean 7S and 11S globulins on the stability and antioxidant capacity of cyanidin-3-O-glucoside (C3G) in the simulated gastrointestinal environment, and further to elucidate their interaction mechanism. The stability and total content of anthocyanins (ACNs) before and after simulated digestion were determined by Ultraviolet–visible (UV–Vis) spectroscopic and pH differential methods, respectively, and free radical scavenging activity of C3G after simulated digestion were measured using ABTS and DPPH assays. The interaction mechanism was further investigated using molecular docking and molecular dynamics simulation. The analysis results showed that soybean 7S and 11S globulins had a protective effect on the stability of C3G during simulated digestion and improved the antioxidant capacity of C3G after simulated digestion. Soybean 11S globulin had a better effect than soybean 7S globulin in protecting the stability and antioxidant capacity of C3G against simulated gastrointestinal environment. In silico results showed that the binding interactions between C3G and 7S and 11S globulins were mainly hydrogen bonds and van der Waals forces, followed by hydrophobic interactions. Among them, ASN69 and THR101 are the key amino acid residues for 7S–C3G binding, and THR82 and PRO86 are the key amino acid residues for 11S–C3G binding. The results suggested that it may be helpful to use soybean 7S and 11S globulins as carriers to improve the stability and antioxidant activity of ACNs.