Identification and virtual screening of novel umami peptides from chicken soup by molecular docking

Abstract

By combining python script invocation, the batch processing of molecular docking was achieved to screen 20 potential umami peptides out of the 208 peptides identified in chicken soup. Nine peptides were dominated by umami taste according to sensory analysis, among which PPQEAAQF (2.56) has the highest umami intensity, followed by AEEHVEAVN (2.43) and NEFGYSNR (2.19). The threshold of nine peptides ranged from 0.08 mM to 0.58 mM. In 0.35 % MSG, the effective threshold of umami-enhancing effect of LPLQD was 0.24 mM. In addition, the molecular docking results indicated that His71, Ser107, and Asp147 of taste receptor type 1 member 1, and Asn68, Asp216, His387, and Ala302 of taste receptor type 1 member 3 play critical roles in the binding with umami peptides by forming hydrogen bonds and hydrophobic force. Thus, the combination of molecular docking and python script invocation was effective and economical for umami peptides screening.