To further determine the regulatory effect of LMQXM active ingredients on target proteins, we screened beta-sitosterol, stigmasterol, rhynchophylline, baicalein, formononetin, yohimbine, berberine, and palmatine active ingredients as ligands, and SLC6A4, IL-6, TNF, NGF, MAOA, MAOB, DRD1, DRD2 and HTR2A targets as receptors for molecular docking simulation based on the current status of ADHD research. The gene discussed is HTR2A; the disease is attention deficit-hyperactivity disorder.