基于网络药理学的小陷胸汤功效机制研究

Study on Mechanism of Xiaoxianxiong Decoction Based on Network Pharmacology

目的:探讨小陷胸汤功效作用机制。方法:采用中药系统药理数据库和分析平台(TCMSP)及网络文献收集小陷胸汤中三味中药的化合物,确定候选化合物后通过Pharm Mapper进行靶标预测,将成分、靶标导入Cytoscape 3.2.1软件,进行成分-靶标作用网络构建;并采用Cytoscape中的BiNGO APP对潜在靶标进行GO分析。结果:以口服生物利用度(OB)≥40%、类药性(DL)≥0.18为筛选条件,确定候选化合物15种,进一步对应潜在靶标74个;成分-靶标作用网络发现黄连中的氢化小檗碱[(R)-Canadine]和半夏中的豆甾烯醇(Stigmasterol)可能是其主要的活性成分;GO分析发现信号传导、信号处理过程及相关分子功能和细胞组件变化最为显著,毒蕈碱的乙酰胆碱受体M(CHRM)、雌激素受体3(NR3)和β2肾上腺素能受体(ADRB)各亚基出现的频率最高。结论:小陷胸汤可能是通过细胞中各细胞器膜蛋白变化,引起跨膜信息传导过程改变,最终作用于相关蛋白而发挥作用的。

Objective:To explore the mechanism of Xiaoxianxiong Decoction. Methods:TCMSP and Pharm Mapper database were used to screen and filter the targets of the main active ingredient of Xiaoxianxiong Decoction. Then,the active ingredient and predicted targets were imported to Cytoscape 3.2.1 software to construct the ingredient-target network. BiNGO APP in Cytoscape was used to carry on GO analysis of potential targets. Results:The 15 active ingredients and the potential 74 targets were filtered based on the condition of oral bioavailability(OB)≥40% and drug likeness(DL) ≥0.18. The component-target network found that berberine(R-Canadine) in Huanglian(Coptidis Rhizoma) and stigmasterol in Banxia(Pineliliae Rhizoma) may be its main active ingredients. The GO analysis showed that the changes of the signal transduction,signal processing and the related molecular function and cellular components were the most significant. Muscarinic acetylcholine receptor M3(CHRM) family,estrogen receptor(NR3) family and beta 2 adrenergic receptor(ADRB) family were the most common genes. Conclusion:Therefore,it is speculated that Xiaoxianxiong Decoction may change the membrane proteins of the cell,causing the variation of signal transduction process across the membrane,which maybe the mechanism of Xiaoxianxiong Decoction play the pharmacological role.