Synergistic Effect of Specific Volatile Sulfur Compounds in Durians with Sucrose: Mechanistic Insights from Sensory and Sweet Taste Receptor Binding Molecular Dynamics

-ethyl ethanethioate and dipropyl disulfide showing significant enhancement, while dimethyl trisulfide suppressed sweetness. Molecular docking revealed stable binding of sweet-enhancing VSCs to T1R2/T1R3-sucrose complexes (-9.811 to -8.274 kcal/mol), mediated by hydrogen bonds and hydrophobic interactions in the Venus flytrap domain. Molecular dynamics confirmed that dipropyl disulfide stabilized receptor-ligand binding through multifaceted interactions. It was found that the binding energy has a certain correlation with the perceived intensity. Future research should integrate cross-modal sensory and molecular biology approaches to optimize low-sugar flavor compensation strategies.