Quality markers of Polygala fallax Hemsl decoction based on qualitative and quantitative analysis combined with network pharmacology and chemometric analysis

Abstract

IntroductionPolygala fallax Hemsl (PFH) is a widely used herbal medicine in Guangxi, China. At present, research on PFH mainly focuses on extraction technology and cultivation, lacking quality control standards for systematic evaluation.ObjectivesThe study aimed to assess the quality of PFH from different sources and to predict markers that would help assess quality.MethodsFingerprinting of 15 batches of PFH samples was performed by ultra‐high performance liquid chromatography (UPLC) and similarity was assessed using hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discrimination (OPLS‐DA). Differential components were screened by mathematical analysis, and a “component‐target‐pathway” network map was constructed in combination with network pharmacology, quality markers (Q‐markers) of PFH were predicted, and quantitative analysis was performed.ResultsFifteen batches were fingerprinted for PFH, with 11 common peaks, and peak 5 was identified as 4‐hydroxybenzoic acid, which was generally consistent with the results of HCA, PCA, and OPLS‐DA. Network pharmacology screened 18 potential compounds, 45 core targets, and 20 key pathways, integrating fingerprinting, pattern recognition, and network pharmacology methods. One of the potential Q‐markers that can identify the principle of testability, efficacy, and specificity is 4‐hydroxybenzoic acid, whose content ranges from 0.0188 to 1.4517 mg/g.ConclusionThe potential Q‐markers of PFH were predicted by integrating fingerprinting, pattern recognition, and network pharmacological analysis, which provided a scientific basis for the overall control and evaluation of the quality of PFH and a theoretical reference for the study of the quality standard of multi‐base traditional Chinese medicine.