OBJECTIVE： To provide theoretical reference for clinical research and application of TCM Mahuang decoction. METHODS： TCM components of Mahuang decoction were analyzed by literature searching and data analysis， and TCM component database was established. The active compounds were selected through computer simulation prediction， and the related targets were predicted. Molecular pharmacology mechanism of TCM Mahuang decoction in the treatment of typhoid syndrome was investigated. RESULTS： Mahuang decoction contained about 723 compounds， among which E. sinica contained 236 compounds， Cinnamomum cassia contained 115 compounds， Glycyrrhiza uralensis contained 287 compounds， and Amygdalus Communis contained 85 compounds. 43 active compounds were screened through computer simulation prediction， and 18 related targets were mainly related to vasodilation effect， adrenergic action and the effect of promoting smooth muscle contraction. CONCLUSIONS： By combining oral bioavailability prediction by computer， drug-like analysis and target prediction， the study determines the effect of active compounds in Mahuang decoction on typhoid syndrome by the means of vasodilation， adrenergic action and promoting smooth muscle contraction.