藿香正气滴丸治疗功能性消化不良的网络药理学研究

Network pharmacological studies of Huoxiang Zhengqi pill in treating functional dyspepsia

目的:对藿香正气滴丸进行网络药理学的研究,探索其治疗功能性消化不良的活性成分,进一步阐明其药效物质基础,为该药国际化注册和推广提供研究支持。方法:采用成药性分析、主成分分析、分子对接和网络分析方法综合研究藿香正气所含分子抗功能性消化不良的的网络药理学性质。结果:14个化合物与23个抗功能性消化不良靶标具有高网络度,9个化合物与特点蛋白具有很强的相互作用。网络分析显示藿香正气滴丸主要通过此23种有效成分协同作用来发挥治疗。结论:网络药理学的研究方法有助于搜寻藿香正气滴丸中可能的活性分子,并阐明其作用机制。

Objective： To conduct computing network pharmacological studies on Huoxiang Zhengqi pill, explore its active ingredients in the treatment of functional dyspepsia, and further clarify the material basis for its efficacy in order to provide a research support for the international registration and promotion of the drug. Methods： Druggability analysis, principal component analysis, molecular docking and network analysis were applied to study pharmacological properties of compounds of Huoxiang Zhengqi pill on functional dyspepsia. Results： A total of 14 compounds had high network degree with 23 anti-FD targets; 9 compounds and certain special protein had close interactions. Network analysis showed that Huoxiang Zhengqi pill played a significant role in treating functional dyspepsia （FD） based on the synergistic effect of 23 active ingredients. Conclusion： The method of network pharmacological studies is helpful to explore possible active molecules in Huoxiang Zhengqi pill and elucidate the mechanism of action.