基于网络药理学与分子对接探讨当归丹参药对治疗急性肝损伤的作用机制OACSTPCD

Based on network pharmacology and molecular docking technology,the mechanism of radix angelicae sinensis-ra-dix salviae miltiorrhizae drug pair(ASM)in the treatment of acute liver injury(ALI)was studied and verified by experiment.In this study,network pharmacology and molecular docking methods were used to screen the core targets of ASM in the treatment of ALI,and the core targets were enriched by analysis,and protein interaction network was constructed.The core target was mo-lecular docked with the active components of ASM,and the molecular docking was verified by constructing ALI rat model and detecting the expression of relevant serum biochemical indexes and liver proteins.The results showed that 67 active ingredi-ents were obtained from ASM,of which 75 targets interacted with acute liver injury.Protein-protein interactions(PPI)network analysis showed that TP53,CASP3,JUN,STAT3,AKT1,VEGFA,TNF,IL-6,MMP9 and PTGS2 may be the key targets of ASM in the treatment of ALI.The core targets of GO and KEGG signaling pathway enrichment analysis were mainly concen-trated in hepatitis B signaling pathway,lipid and atherosclerosis,AGE-RAGE,and apoptosis signaling pathways.Molecular docking results showed that the core targets(TP53 and CASP3)had good binding sites with β-sitosterol,baicalin and cryptotan-shinone.The results of in vivo experiments showed that ASM could reduce the expression levels of ALT,AST and MDA in se-rum of CCl4-induced model rats,and increase the activity of SOD,CAT and GSH in liver,thereby alleviating the CCl4-induced oxidative stress.The ASM could up-regulate BCL2 and down-regulate the expression levels of BAX,CASP3 and TP53.The results of this study indicate that ASM can effectively ameliorate ALI,which may be achieved through β-sitosterol,baicalin and cryptotanshinone and other chemical components,acting on key targets such as TP53 and CASP3,and through multiple signal-ing pathways such as p53 signaling pathway and apoptosis pathway.This study provides theoretical and experimental basis for clinical ASM treatment of ALI,and provides new ideas and methods for further research and development of traditional Chinese medicine.