Quality markers of GFDH pills based on multi-component qualitative and quantitative analysis combined with network pharmacology and chemometric analysis

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Background Guifu Dihuang (GFDH) Pills is a classic traditional Chinese medicine prescription for kidney yang deficiency. At present, its quality control only takes Paeonol as the single marker, which is difficult to comprehensively reflect the holistic quality and therapeutic efficacy of this preparation. Objective To screen and determine the quality markers of GFDH pills based on multi-component qualitative and quantitative analysis, combined with network pharmacology and chemometric analysis. Methods A total of 27 batches of commercial samples from 9 manufacturers were collected. The chemical constituents were identified by ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS). Fourteen constituents were quantitatively determined by ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS). Network pharmacology was applied to predict anti-fatigue active components and their related targets. Screen quality markers by combining chemometric methods including coefficient of variation (CV), intraclass correlation coefficient (ICC) and partial least squares-discriminant analysis (PLS-DA). Results A total of 88 chemical constituents were identified, and their contents differed significantly among different batches. The results of coefficient of variation (CV), intraclass correlation coefficient (ICC) and partial least squares-discriminant analysis (PLS-DA) indicated obvious quality differences in samples from different manufacturers. Ultimately, eight constituents with variable importance in projection (VIP) values greater than 1.0 were screened out. Conclusion F, Cornuside, Acteoside, Benzoylpaeoniflorin, Paeonol, Paeonolide, Loganin and Mudanpioside C can be used as quality markers of GFDH Pills. However, the proposed quality markers require further validation through in vivo pharmacological experiments and clinical correlation studies with larger sample sizes.