Candidate compounds associated with sourness and astringency in Corni Fructus: an integrated analysis of chemical profiles, sensory evaluation, and molecular docking.

Corni Fructus (CF), a medicinal and edible herb, is characterized by sour and astringent properties in both taste and the Traditional Chinese Medicine Five-Flavor Theory. However, the chemical basis of these sensory attributes remains unclear. This study integrated UPLC-MS/MS profiling, electronic tongue analysis, human sensory evaluation, and molecular docking to identify sour/astringent components and explore their sensory relevance. A total of 82 features were characterized, including 52 organic acids, 28 tannin-related features, and 2 unclassified features. Sensory and E-tongue analyses revealed region-dependent differences in sourness, astringency, and bitterness. Correlation analysis and PLSR suggested malic acid and related derivatives may contribute to sourness, whereas galloylated tannins, including 3-O-galloyl-d-glucose, were associated with astringency- and bitterness-related responses. Molecular docking provided preliminary support for interactions between compounds and taste-related protein models. These findings provide candidate markers for flavor-oriented quality evaluation of CF and offer a foundation for sensory validation and medicinal-edible product development.