%0 Journal Article
%T A mechanistic investigation on kokumi-active γ-Glutamyl tripeptides - A computational study to understand molecular basis of their activity and to identify novel potential kokumi-tasting sequences.
%A Dellafiora L
%A Magnaghi F
%A Galaverna G
%A Dall'Asta C
%J Food Res Int
%V 162
%N 0
%D 12 2022
%M 36461279
%F 7.425
%R 10.1016/j.foodres.2022.111932
%X Kokumi is an important taste perception whose chemical basis still needs clarifications and for which the development of high-throughput tools of analysis is desirable. The activation of Calcium-sensing receptor (CaSR) was described as the basis of kokumi perception allowing the use of molecular modelling to deepen its chemical rationale and related mechanisms. This study focused on γ-Glutamyl tripeptides, computationally providing mechanistic insights on their CaSR-activating properties and extended the comprehension of their structure-activity relationship. A library of 400 γ-Glutamyl tripeptides was also screened. γ-Glu-Pro-Ala and γ-Glu-Pro-Ser were identified for further dedicated investigations based on their promising CaSR-activating potential and their presence should be checked accordingly in food matrices to better profile the kokumi fingerprint. This work provided a meaningful tool for the top-down analysis of kokumi-active molecules that may support either the identification of kokumi molecules concealed in food or the rational design of kokumi-active molecules de novo.