UHPLC-PDA-Q-TOF-MS-α-amylase-FLD activity detection system and molecular docking.

Introduction: Traditional and some scientific literature document the antidiabetic effects of the Ziziphi Spinosae Semen (ZSS). However, the bioactive compounds of ZSS responsible for the antidiabetic effects are not well known.

Objectives: This study aimed to investigate the material basis of the antidiabetic effects of ZSS by inhibiting α-amylase.

Methodology: An online analysis platform was established and optimized using an ultra-performance liquid chromatography-photo-diode array-quadrupole-time-of-flight-mass spectrometry-α-amylase-fluorescence detector (UHPLC-PDA-Q-TOF-MS-α-amylase-FLD) system to screen α-amylase inhibitors in ZSS rapidly. The inhibitory effect of these compounds was confirmed by molecular docking screening. and the molecular interactions between α-amylase and active compounds were evaluated, which strongly supported the experimental results.

Results: Seventy-eight compounds were identified in the ZSS extract, eleven of which were screened to have significant α-amylase binding activity.

Conclusion: This study demonstrated the feasibility of using an established platform to screen for effective components in ZSS, providing a practical method for the rapid screening of potential antidiabetic active ingredients in traditional Chinese medicine.