Abstract:Aim To investigate the mechanism of Danggui Buxuetang in treating atherosclerosis (As) by using network pharmacology and molecular docking technology. Methods The active ingredients of Danggui Buxuetang were obtained with the help of TCMSP database, and their potential targets were predicted using the Swiss Target Prediction platform. GeneCards and DisGeNET databases were used to screen As targets, and the intersection of active ingredient prediction targets and disease targets was used to obtain key intersection targets. The STRING platform was used to construct the intersection target PPI interaction network, and the Cytoscape software network topology analysis screened potential key targets. Cytoscape software was used to construct drug-ingredient-target and find the core active ingredient. GO function enrichment analysis and KEGG pathway enrichment analysis were carried out through the Metascape database, and finally, through molecular docking, the components and target mechanism of its therapeutic effect were further clarified. Results A total of 19 active ingredients of Danggui Buxue tang were screened, 204 predicted targets, 5 213 disease targets, and 176 intersection targets for the treatment of As were screened. The top five core targets were Akt1, JUN, TP53, TNF, IL-6. GO and KEGG enrichment analysis mainly pointed to functions such as oxidative stress response and transcriptional regulatory complex, and the signal transduction involved mainly included FoxO signaling pathway, JAK-STAT signaling pathway and IL-17 signaling pathway, etc. Molecular docking results showed that the docking binding energies of the five active ingredients and five important core targets were all less than -5 kJ/mol, suggesting that the binding between the receptor protein and the ligand small molecule was stable, and the lower the value, the higher the binding stability, and the top five active ingredients in terms of binding energy included β-sitosterol and quercetin, among which the active ingredient β-sitosterol had the lowest binding energy to TNF, which was -10.52 kJ/mol, indicating that β-sitosterol alcohol and quercetin, two active ingredients of traditional Chinese medicine, may play an important role in the treatment of atherosclerotic diseases. Conclusion The core active ingredients such as quercetin and β-sitosterol in Danggui Buxuetang may regulate inflammatory response, lipid metabolism and other related pathways by acting on core targets such as Akt1, JUN, TP53, TNF and IL-6, thereby exerting role in the treatment of atherosclerosis.