Identification of novel saltiness‐enhancing peptides from rice bran protein: AlphaFold3 modeling, molecular simulation, and sensory evaluation

AlphaFold3 was used to model transmembrane channel-like protein 4 (TMC4), and molecular docking combined with molecular dynamics simulations was performed to investigate the binding mechanisms between the saltiness-enhancing peptides and TMC4. It was found that key amino acid residues, such as Arg437, Asp491, Asp530 and Glu531, play important roles in the ligand-receptor interactions, and molecular dynamics simulations further confirmed the binding stability of these interaction sites. This study provides a theoretical basis for the discovery and application of saltiness-enhancing peptides derived from cereal sources. © 2025 Society of Chemical Industry.