Predictive Analysis of Quality Markers of Abrus cantoniensis Hance Based on Plant Metabolomics and Network Pharmacology / 世界科学技术-中医药现代化

ABSTRACT

Objective To analyze the secondary metabolites of Abrus cantoniensis Hance based on plant metabolomics,and the quality marker(Q-marker)of Abrus cantoniensis Hance by multivariate statistics and network pharmacology prediction.Methods The chemical constituents of 11 batches of Abrus cantoniensis Hance were analyzed by UPLC-Q-TOF-MS methods established and their common components were confirmed.At the same time,cluster analysis(HCA),principal component analysis(PCA)and partial least squares discriminant analysis(OPLS-DA)were carried out to identify the main differential components that caused the classification of the multi-batch medicinal materials of Abrus cantoniensis Hance.Then,the network of"core components-core target-core pathway"was constructed through network pharmacology to screen and predict the potential Q-marker of Abrus cantoniensis Hance,and molecular docking verification was applied to further predict the activity.Results 39 common components were identified in 11 batches of Abrus cantoniensis Hance,mainly containing triterpenoid saponins,flavonoids,alkaloids,etc.HCA and PCA analysis showed that 11 batches of Abrus cantoniensis Hance were divided into 4 categories,and OPLS-DA analysis showed that 9 chemical components played an important role in the classification.The results of network pharmacology analysis showed that the above 9 components which acted on 166 targets were active components,and 29 core targets were obtained by protein interaction(PPI)screening.Among them,four chemical components,Abrine,Hypaphorine,SoyasaponinⅠ and Arginine,were highly correlated with the core targets.Combined with the concept of Q-marker and molecular docking results,it was preliminarily predicted that Abrine and Hypaphorine would be the Q-markers of Abrus cantoniensis Hance.Conclusion The Q-marker of Abrus cantoniensis Hance can be predicted and analyzed by plant metabolomics combined with multivariate statistics and network pharmacology.This study provided data reference for the quality control and evaluation of Abrus cantoniensis Hance and research ideas for further scientific development of Abrus cantoniensis Hance.