Abstract:Objective To investigate the molecular mechanism of “dandelion-prunella vulgaris” in the treatment of granulomatous mastitis (GLM) through network pharmacology and molecular docking technology. Methods The active components of dandelion and prunella vulgaris were screened by Traditional Chinese Medicine (TCM) Systems Pharmacology Database and Analysis Platform (TCMSP), a Bioinformatics Analysis Tool of Molecular Mechanism of TCM (BATMAN-TCM) and literature retrieval, obtained drug targets through Uniport and SwissTargetPrediction. GLM target genes were obtained from GeneCards, OMIM and TTD disease target databases, and drug and disease intersection targets were screened. The network diagram was drawn by Cytoscape software, and the target protein interaction network diagram was drawn by STRING platform and Cytoscape software to obtain the core targets of dandelion-prunella vulgaris in the treatment of GLM. DAVID and Omicshare were used for gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, and Cytoscape was used to draw the “target pathway” map. The core target was docked with the core active ingredient by using the automated docking software (Autoduck), and the molecular docking results were visualized by the molecular mapping software (PyMOL). Results Dandelion-prunella vulgaris had 34 active components, mainly including luteolin, quercetin, kaempferol and butyl phthalate. It mainly acted on core targets such as IL-6, IL-1β and TNF, mainly involving Toll like receptors, TNF, nucleotide binding oligomerization domain（NOD） like receptors and other signal pathways. The molecular docking results showed that the core active components have good binding activity to the core targets. Conclusion The couplet medicines of dandelion-prunella vulgaris can regulate GLM immune inflammation through multi-component, multi-target and multi-channel.