Abstract:To analyze the potential mechanism of anti-inflammatory action of Bezoar Antidotal Pill and its active components based on the integrated research idea of “mass spectrometry analysis-network pharmacology prediction-activity verification”.Methods:High-resolution mass spectrometry was used to analyze the components in Bezoar Antidotal Pill,and the analyzed components were used to find the corresponding targets by using the bioinformatics analysis tool of molecular mechanism of traditional Chinese medicine(BATMAN-TCM).Inflammation-related targets were obtained from the Mendelian Inheritance Database(OMIM) database,and the intersection of component targets and disease targets was taken.The protein interaction analysis of common targets was performed using the Protein Interaction Database(STRING) database,and the targets were further screened by Cytoscape software.Using the DAVID database,the Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment analysis was performed on the core targets,and a “drug-component-target-pathway” network diagram was constructed; AutoDock 4.2.6 software was used to conduct molecular docking verification on key targets and related drug molecules,and for prostaglandin endoperoxide synthase 2(PTGS2) target and its corresponding chemical constituents for in vitro verification.Results:A total of 236 components in Bezoar Antidotal Pill were analyzed by high-resolution mass spectrometry,corresponding to 456 targets,158 inflammation-related targets,and 21 intersection targets.After protein interaction analysis and network topology analysis,11 core targets and 14 active ingredients were obtained,involving 27 pathways including tumor necrosis factor(TNF),nuclear factor kappa-B(NF-κB),Toll-like receptors(TLR) and chemokines.The docking results showed that the targets of PTGS2,interleukin-1β(IL-1β),interleukin-13(IL-13) and chemokine 2(CCL2) and their corresponding rhubarb Acid,laconic acid D,oleanolic acid and other components had higher binding activities.In vitro activity experiments,rhein had a good inhibitory effect on their corresponding PTGS2 target.Conclusion:In this study,the anti-inflammation regulatory network of Bezoar Antidotal Pill was constructed,and the active ingredients and mechanism of action of Bezoar Antidotal Pill were analyzed.It was found that rhein had a good inhibitory effect on the anti-inflammatory target PTGS2.