Predictive Analysis and Activity Validation of Quality Markers in Erchen Pill.

The ErChen Pill (ECP), a classical traditional Chinese medicine (TCM), is clinically effective in treating dampness-phlegm-related disorders, including cough, nausea, vomiting, and excessive phlegm production. However, the complexity of the chemical composition of traditional Chinese medicine poses challenges to controlling the quality of ECP. This study aimed to predict and validate the quality markers (Q-markers) of ECP. First, we performed high-performance liquid chromatography (HPLC) to establish fingerprints of 26 batches of ECP and identify common peaks. Subsequently, quality-differentiating components were identified by chemometrics, and potential Q-markers of ECP were further validated through network pharmacology and molecular docking. The five candidate Q-markers-hesperidin, liquiritin apioside, nobiletin, liquiritin, and tangeretin-were selected via multivariate statistical analysis. The results of network pharmacology analysis and molecular docking revealed that the five candidate Q-markers acted on multiple targets and pathways, with high binding ability with core targets. Notably, in vitro experiments validated the anti-tumor effects of liquiritin apioside, which suppressed proliferation and invasion of human prostate cancer PC-3 cells and induced their apoptosis. In this study, we predicted and validated the Q-markers of ECP, providing a scientific basis for the comprehensive evaluation of the quality of ECP.