治咳川贝枇杷滴丸挥发性成分治疗气道炎症的网络药理学研究

Network pharmacological research of volatile oil from Zhike Chuanbei Pipa Dropping Pills in treatment of airway inflammation

目的引入网络药理学方法分析治咳川贝枇杷滴丸(ZCPDP)挥发油成分并预测其治疗气道炎症的作用机制。方法采用乙醚加热回流提取方法从ZCPDP中提取挥发油成分,并以气相色谱-质谱联用(GC-MS)技术对其化学成分进行分析,通过反向对接模拟筛选预测其抗炎作用机制,并对相关药效成分α-红没药醇(ABB)的作用进行验证。结果挥发油提取物中共鉴定出28个成分,反向对接结果显示其抗炎机制主要与调节HSP 90-α、TGF-β受体等靶蛋白及其相关通路有关,以ABB为代表的药理验证实验显示,ABB能够很好地作用于预测的靶点及通路,且具有显著抗炎作用。结论 ZCPDP挥发油成分的抗炎机制可能与调节Toll样受体、TGF-β、MAPK等信号通路有关。

Objective To analyze the chemical constituents in volatile oil of Zhike Chuanbei Pipa Dropping Pills（ZCPDP） and predict the potential mechanisms on the treatment of airway inflammation by network pharmacological method.Methods The volatile oil was extracted with refluxing ethylether from ZCPDP.The components were identified by GC-MS and the amount was determined by area normalization.The mechanism on treating airway inflammation was investigated by reverse docking and the effect of major component α-bisabolol（ABB） was verified as an example.Results Twenty-eight chemical constituents were identified by GC-MS.By reverse docking,the constituents could bind with some target proteins such as HSP 90-α and TGF-β receptors,and regulate the related pathways in anti-inflammation.Pharmacological verification showed ABB could regulate the above targets and pathways,and had significant anti-inflammatory effect.Conclusion The mechanism of volatile oil in ZCPDP on relieving asthma may be related with Toll-like receptor,TGF-β,and MAPK signaling pathways.