Isolation and screening of umami peptides from preserved egg yolk by nano-HPLC-MS/MS and molecular docking

•Five novel umami peptides were screened from preserved egg yolk.•Phe527 on T1R1/T1R3 played critical role in the production of umami.•Molecular docking could be used to screen umami peptides. The material basis leading to the rich umami flavor of preserved egg yolk is poorly understood. This study used nano-high-performance liquid chromatography − tandem mass spectrometry (nano-HPLC-MS/MS) to isolate, identify, and screen umami peptides from preserved egg yolk. Five novel umami peptides—AGFMPLP, APYSGY, PPMF, SLSSLMK, and VAMNPVDHPH—were identified. Molecular docking showed that Phe527 on the taste receptor T1R1/T1R3 (T1R1, taste receptor type 1 member 1; T1R3, taste receptor type 1 member 3) was the key interaction site. Hydrogen bonding, electrostatic interactions, and hydrophobic interactions were the main binding forces between T1R1/T1R3 and umami peptides. These results contribute to understanding the umami peptides in preserved egg yolk and the interaction mechanism between umami peptides and umami receptors.