Objective This study aimed to investigate the correlation between bitterness and antioxidant activity in Coptis chinensis, systematically characterize its bitter-active compounds, and establish a corresponding quality control method, using an integration of electronic sensory techniques, UPLC-Q-TOF-MS/MS, and molecular docking. Methods The bitterness intensity and antioxidant capacity of C. chinensis. from three geographical origins were quantified via an electronic tongue and in vitro antioxidant assays, and a subsequent correlation analysis was conducted to explore their relationship. Chemical constituents were identified by UPLC-Q-TOF-MS/MS, and differential components and potential bitter compounds were screened by integrating plant metabolomics and correlation analysis between chemical components and bitterness. Molecular docking was performed to further screen components with strong binding affinity to the bitter taste receptors TAS2R1, TAS2R7, TAS2R8, and TAS2R14, and their binding modes were summarized. By integrating these results, the bitter-active compounds responsible for both taste and antioxidant effects were identified. Subsequently, a high-performance liquid chromatography (HPLC) method was developed for the simultaneous quantification of seven key bitter-active compounds (groenlandicine, jatrorrhizine, columbamine, epiberberine, coptisine, palmatine, and berberine) for quality control. Results Correlation analysis confirmed a positive relationship between bitterness intensity and antioxidant capacity across the three origins. UPLC-Q-TOF-MS/MS analysis led to the identification of 87 chemical constituents, from which origin-specific differential components and potential bitter-tasting substances were screened. Molecular docking identified 18 components with high binding affinity to the target bitter receptors, and their specific binding modes were elucidated. Integrated analysis pinpointed the bitter-active compounds in C. chinensis that contribute to both taste perception and antioxidant activity. A reliable HPLC method for the simultaneous quantification of the seven key bitter-active compounds was successfully established. Conclusion This study clarified the bitter-active compounds in C. chinensis and developed a quality control method based on these components. The findings provide a theoretical foundation and practical reference for elucidating the “bitter taste-efficacy” relationship and for optimizing the quality control system of C. chinensis.

Coptis chinensis Franch.  /  bitter bioactive components  /  taste-effect relationship  /  plant metabolomics  /  quality control  /  groenlandicine  /  jatrorrhizine  /  columbamine  /  epiberberine  /  coptisine  /  palmatine  /  berberine