Analysis of the deterioration rule and perception mechanism of egg yolk powder odor based on volatile omics, molecular docking and molecular dynamics simulation.

This study employed headspace solid-phase microextraction - gas chromatography - mass spectrometry (HS-SPME-GC-MS) technology to reveal that the odor characteristics of egg yolk powder (EYP) significantly deteriorated during long-term storage. At the end of the storage period, six key odor substances (KOSs) were found to have accumulated significantly. Through molecular docking of three typical KOSs with olfactory receptors (ORs), it was discovered that the high-molecular-weight 2-undecanone had the strongest binding affinity with ORs, exhibiting an average binding energy of -4.91 kcal/mol and exhibited the highest affinity for most ORs. Eight potential broad-spectrum odor-regulating ORs were identified through this analysis. Molecular dynamics (MD) simulations confirmed that the 2-undecanone - OR1Q1 complex was the most stable (ΔG = -123.76 kJ/mol). Van der Waals forces dominated the interaction. This study provides a theoretical basis for maintaining the odor stability of egg yolk powder and establishes a reference analytical paradigm for the study of odor perception mechanisms. This work offers a vital theoretical framework for targeted flavor regulation in deep-processed egg products, thereby mitigating quality deterioration and enhancing consumer acceptance.