基于血清药物化学和网络药理学探讨槐花散治疗溃疡性结肠炎的作用机制OA

Objective To explore the mechanism of Huaihua Powder in the treatment of ulcerative colitis(UC)on the basis of serum pharmacochemistry combined with network pharmacology and molecular docking technology.Methods UPLC-Q-TOF-MS was used to analyze and identify the blood components of Huaihua Powder in the drug-containing serum of rats.The network pharmacology method was employed to predict the key active ingredients,core targets and potential pathways of Huaihua Powder in the treatment of UC.Molecular docking technology was used to preliminarily verify the affinity of the core targets and key active ingredients obtained by the mechanism of action.Results 11 prototype blood components and 13 metabolites were identified in the drug-containing serum of rats.A total of 206 drug-disease intersection targets were identified by the network pharmacology approach,with the core targets being IL6,AKT1,TNF,EGFR and STAT3.The key active ingredients are Yanagawa ichthyocin,neohesperidin and geranidin.The core targets exerted synergistic effects by regulating PI3K/Akt,IL-17,PPAR and other pathways.The molecular docking results showed that the predicted 5 core targets and 3 key active ingredients had strong affinity.Conclusion This study provides a reference for the elucidation of the mechanism of Huaihua Powder in the treatment of ulcerative colitis.Combined application of serum medicinal chemistry with network pharmacology reveals the synergistic mechanism of"multi-component,multi-target,and multi-pathway"of the drug.