Multievaluation Strategy for Liujunzi Decoction: Fingerprint Characterization, Chemometrics Analysis, Network Pharmacology, and Molecular Docking

Liujunzi decoction (LJZD), a traditional tonic formula for treating “qi” deficiency of the spleen and the syndrome of phlegm dampness, can be used to prevent and treat chemotherapy-induced anorexia (CIA). The chemical constituents of LJZD are rather complex; therefore, it is of great significance to establish an effective and economic quality control method to ensure the quality consistency and stability of LJZD. With one chromatographic condition, 13 common peaks detected at 203 nm were selected to establish a fingerprint similarity model and 7 chemical constituents were identified as ephedrine hydrochloride, liquiritin, hesperidin, ginsenoside Rg1, jujuboside A, 6-gingerol, and atractylenolide III. Ten batches of LJZD were divided into two groups by cluster analysis and principal component analysis (PCA), and four main components (ephedrine hydrochloride, hesperidin, ginsenoside Rg1, and jujuboside A) of LJZD were analyzed. Also, the analysis results were combined with network pharmacology and molecular docking technology to further predict how LJZD could prevent and treat CIA. We found that these four main components of LJZD spontaneously combined with four CIA targets (SRC, PIK3R1, MAPK1, and AKT1). In this study, we established the fingerprint of LJZD for the first time, and through a comprehensive multiassessment method, we also successively analyzed the fingerprint and chemometrics.