To elucidate the mechanism of Mailuotong granules in treating angina pectoris through network pharmacology approaches and molecular docking validation. The TCMSP database of the Traditional Chinese Medicine Systems Pharmacology platform was searched for the target genes of the active ingredients in Mailuotong granules. The keywords "angina pectoris" were used to retrieve disease-related genes from the Genecards and OMIM databases. The intersection of Mailuotong granule's active ingredient targets and angina pectoris disease targets was identified as the key targets. PPI (protein-protein interaction) networks were constructed using the STRING database, while Cytoscape 3. 10. 2 software was utilized to build the network of "Mailuotong granules-active ingredients-potential targets." Functional enrichment analyses, including GO (gene ontology) and KEGG (kyoto encyclopedia of genes and genomes) pathway assessments, were performed through DAVID database and Weishengxin platform. Pymol, AutoDock Tools, and other software were used to verify the molecular docking between the core components and key targets, with Pymol also used for visual analysis. The results show that Mailuotong granules contained 118 active ingredients targeting 544 genes. There are 1 297 target genes associated with angina pectoris, with 176 common genes between the drug and the disease. Five key genes are screened: CASP3 (serum cysteine aspartate protease-3), PTGS2 (prostaglandin-endoperoxide synthase 2), MMP9 (matrix metalloproteinase-9), IL-6 (interleukin-6), and TNF (tumor necrosis factor). The biological pathways involve included AGE-RAGE, fluid shear stress, and atherosclerosis. Kaempferol, formononetin, quercetin, isorhamnetin, and luteolin are molecularly docked with CASP3, PTGS2, MMP9, IL-6, and TNF, respectively, demonstrating robust binding affinities. Mailuotong granules, through components such as quercetin and luteolin, can act on core targets like CASP3, PTGS2, and MMP9, regulate biological pathways such as fluid shear stress and atherosclerosis, and AGE-RAGE, inhibit endothelial cell proliferation, control inflammatory responses, combat oxidative stress, and participate in the body's metabolism in the treatment of angina pectoris.