中药麻黄汤的分子药理学机制研究

摘要

目的:为中药麻黄汤的临床研究和应用提供理论依据.方法:采用文献检索和数据分析的方法对麻黄汤的中药组分进行分析,建立其中药组分数据库,利用计算机模拟预测的方法筛选其中的活性化合物,对相关靶点进行预测,探索其治疗伤寒证的分子药理学机制.结果:麻黄汤中约含有723个化合物,其中麻黄约含有236个,桂枝约合有115个,甘草约含有287个,杏仁约含有85个.通过计算机模拟预测共筛选出43个活性化合物,相关的18个作用靶点主要与舒张血管作用、肾上腺素样作用和促进平滑肌收缩作用有关.结论:本研究通过计算机口服生物利用度预测、类药性分析和靶点预测相结合,明确了麻黄汤中的活性化合物是通过舒张血管、促肾上腺素效应和促平滑肌收缩等作用发挥治疗伤寒证的功效.%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.