基于UHPLC-Q-Exactive Orbitrap MS和网络药理学探讨益气祛风方治疗糖尿病肾病作用机制  

Mechanism of Yiqi Qufeng Formula in the treatment of diabetic nephropathy based on UHPLC-Q-Exactive Orbitrap MS and network pharmacology

作　　者：朱荔炜 王春国[2] 洑晓哲 黄为钧[1] 李潇然 赵进喜[1] ZHU Liwei;WANG Chunguo;FU Xiaozhe;HUANG Weijun;LI Xiaoran;ZHAO Jinxi(Dongzhimen Hospital,Beijing University of Chinese Medicine,Beijing 100700,China;School of Chinese Materia Medica,Beijing University of Chinese Medicine,Beijing 100029,China)

机构地区：[1]北京中医药大学东直门医院,北京100700 [2]北京中医药大学中药学院,北京100029

出　　处：《天津中医药》2023年第11期1466-1477,共12页Tianjin Journal of Traditional Chinese Medicine

基　　金：国家自然科学基金面上项目(82074354);北京市自然科学基金面上项目(7222278);北京中医药大学科研平台建设项目(2023-JYB-KYPT-14)。

摘　　要：[目的]借助超高效液相色谱-四级杆静电场轨道阱质谱仪(UHPLC-Q-Exactive Orbitrap MS)技术结合网络药理学和分子对接技术,分析益气祛风方防治糖尿病肾病(DN)的物质基础和作用机制。[方法]采用UHPLC-Q-Exactive Orbitrap MS鉴定益气祛风方的主要化学成分,采用网络药理学方法构建“主要成分-核心靶点-信号通路”网络,进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,对主要活性成分与核心靶点进行分子对接。[结果]从益气祛风方共鉴定出115个化学成分,获得40个核心靶点,主要涉及磷脂酰肌醇-3激酶-蛋白激酶B(PI3K-Akt)信号通路、脂质及动脉硬化、糖基化终产物及受体(AGE-RAGE)信号通路、趋化因子信号通路及低氧诱导因子(HIF)1信号通路等。分子对接结果表明生松素、荠苧黄酮、槲皮素、N-乙酰多巴胺二聚体-1、N-乙酰多巴胺二聚体-2等成分与部分核心靶点有较好的结合活性。[结论]本研究初步鉴定了益气祛风方治疗DN潜在的有效成分并预测了其作用靶点,为进一步研究中医“从风论治”法和益气祛风方治疗糖尿病肾病的作用机制提供了新的思路。[Objective]To analyze the material basis and mechanism of Yiqi Qufeng Formula(YQQF)in the prevention and treatment of diabetic nephropathy(DN)by means of ultra-high performance liquid chromatography-quadrupole electrostatic field orbitrap mass spectrometry(UHPLC-Q-Exactive Orbitrap MS)combined with network pharmacology and molecular docking technology.[Methods]The main chemical components of YQQF were identified by UHPLC-Q-Exactive Orbitrap MS,and the“main component-core target-signal pathway”network was constructed by network pharmacology.GO functional enrichment analysis and KEGG pathway enrichment analysis were conducted,and molecular docking between the main active components and core targets was conducted.[Results]A total of 115 chemical components were identified from YQQF and 40 core targets were obtained,mainly involving PI3K-Akt signaling pathway,lipid-arteriosclerosis,AGE-RAGE signaling pathway,chemokine signaling pathway and HIF-1 signaling pathway.Molecular docking results showed that pinocembrin,mosloflavone,quercetin,N-acetyldopamine dimer-1,N-acetyldopamine dimer-2 and other components had good binding activity with some core targets.[Conclusion]This study preliminarily identified the potential effective components of YQQF,providing ideas for further research on the“wind-based treatment”method and the mechanism of YQQF.

关 键 词：从风论治 糖尿病肾病 网络药理学 超高效液相色谱-四级杆静电场轨道阱质谱仪 分子对接 

分 类 号：R285.5[医药卫生—中药学]