The invention discloses a method for identifying bitter substances in pandan juice by combining sensory target screening and calculation
verification, which comprises the following steps of: determining phenotypes by sensory evaluation, screening components by
polyphenol targeted metabonomics, reducing range by
multivariate statistical analysis, predicting locked receptors by BitterX, and testing
causality by molecular docking. The method comprises the following steps: firstly, establishing a standardized sensory
evaluation system to determine the
bitter taste intensity of the pandan juice, accurately identifying
polyphenol components in the pandan juice based on
polyphenol targeted metabonomics, then screening potential
bitter taste compounds through PLS-DA and Pearson
correlation analysis, and finally predicting the
bitter taste receptor binding possibility through a BitterX
database and performing molecular docking
verification by using AutodocVina. According to the method, the nanogram-level trace polyphenol compound can be sensitively and qualitatively detected, the rationality of an identification result is verified by molecular docking
simulation from a molecular action mechanism level, and a precise
technical support is provided for regulation and control of bitter taste in hot
processing of the pandan juice and extension of a pandan industry chain.