Analysis of the sweetening effects of lactone and ketone compounds in a cheddar cheese matrix using sensory analysis and molecular simulation

This study evaluated the effects of lactone and ketone compounds on sweetness perception in a Cheddar cheese matrix. According to the static sensory evaluation, a ternary mixture of γ -decanolactone/ δ -decanolactone/acetoin at middle and high concentrations exhibited a significant sweetening effect closely related to olfactory input. Dynamic sensory evaluation showed that a γ -decanolactone/ δ -decanolactone/acetoin ternary mixture at middle and high concentrations could enhance the sweetness perception of a Cheddar cheese matrix at different sucrose concentrations during oral processing. Molecular docking showed that the ternary mixture of γ -decanolactone/ δ -decanolactone/acetoin with sucrose-T1R2 increased the number of hydrogen bond binding sites and increased the number of hydrophobic interaction sites. Molecular dynamics suggested that the molecular conformation of sucrose and T1R2 was more compact and stable in the ternary mixture. Additionally, in the presence of the ternary system, the binding free energy of the re-docking of sucrose and T1R2 was −7.28 kcal/mol, indicating that the docking structure is stable. This stability is maintained by the hydrogen bonding and hydrophobic interaction between the T1R2-sucrose complex and aroma mixtures. These findings provide a theoretical basis for using cross-modal perception to sweeten Cheddar cheese to cater to consumers’ pursuit of sweetness. • Static and dynamic sensory studies reveal the sweetening effect of aroma on a cheese matrix. • Molecular docking clarifies the binding mode of aroma molecules to the sweet receptor. • Molecular dynamics reveals receptor and sucrose conformation changes on aroma binding.