The integrated approach combining harmacodynamics, metabolomics, and network pharmacology to understand the impact and mechanism of MXFD on migraine. Our integrated analysis revealed two differentially expressed metabolites, 5-MIAA and DCA, and nine targets, including MAOB, MAOA, ADRB1, ADRB2, ADRB3, ADORA2A, ADORA2B, DRD5, and HTR4. MXFD’s effectiveness in treating migraine is significantly impacted by these metabolites and targets. This research provides useful data for exploring the mechanisms behind MXFD’s therapeutic effects. The gene discussed is ADRB1; the disease is migraine disorder.