Characterization of Umami Dry-Cured Ham-Derived Dipeptide Interaction with Metabotropic Glutamate Receptor (mGluR) by Molecular Docking Simulation

Dry-cured ham-derived dipeptides, generated along a dry-curing process, are of high importance since they play role in flavor development dry-cured ham. The objective this study was to analyze the residues less-studied metabotropic glutamate receptor 1 (mGluR1) implicated recognition umami ham dipeptides by molecular docking simulation using AutoDock Suite tool. AH, DA, DG, EE, ES, EV, and VG (and glutamate) were found attach enzyme with inhibition constants ranging from 12.32 µM (AH) 875.75 (ES) case if Rattus norvegicus mGluR1 17.44 (VG) 294.68 (DG) Homo sapiens, open–open conformations. Main interactions done key Tyr74, Ser186, Glu292, Lys409; Ser165, Asp318, respectively, for two receptors However, more may be involved complex stabilization. Specifically, EE ES relatively established higher number H-bonds, but presented lower Ki values all cases. results obtained here could provide information about structure taste relationships constitute theoretical reference novel food-derived peptides.