Insight into the binding mechanism between rice characteristic odor compounds and glutelin using multi-spectral and...

Aroma quality is an important parameter for evaluating the eating quality of rice. However, the interactions between rice proteins and odor compounds are not well understood. In this study, the combination of computer simulation and instrumental analysis was used to investigate the binding mechanism of odor compounds with rice glutenin for the first time. Hexanal, 1-octen-3-ol, methyl heptenone, and 2-pentylfuran, which have different functional groups and aroma characteristics, were selected as target odor compounds. The results showed that glutelin had the strongest binding affinity for 2-pentylfuran, whereas it was less likely to adsorb 1-octen-3-ol. Static quenching was the main interaction between glutelin and odor compounds. After the interaction, the ordered structure of glutelin changed to a random coil structure. Hydrogen bonds and hydrophobic interactions were the main driving forces for the binding of hexanal, 1-octen-3-ol, and methyl heptenone to glutelin, whereas hydrophobic interactions were the main driving forces for 2-pentylfuran binding. The amino acids TRY, LYS, GLN, and ARG played key roles in the binding. An improved understanding of the binding effect of glutelin on the characteristic odor compounds of rice could help flavor scientists or product designers to optimize the rice flavor.