基于数据挖掘和网络药理学的敦煌医家李应存教授治疗腰痛用药规律及核心复方解析

An analysis of the medication rules and core prescription from Professor LI Yingcun,a Dunhuang medicine physician,on low back pain based on data mining and network pharmacology

目的:研究敦煌医家李应存教授治疗腰痛的用药规律,筛选核心方,揭示核心方治疗腰痛的分子机制。方法:整理李应存教授治疗腰痛的临床用方,以中医传承辅助平台(V2.5)为手段,挖掘用药规律并筛选核心方,预测其活性成分及作用靶点,通过基因本体论富集分析、京都基因与基因组百科全书(KEGG)通路富集分析分析核心方治疗腰痛的分子机制。结果:本次共挖掘100余条腰痛处方,统计出核心药物“熟地黄-黄芪-当归-牛膝-甘草”,通过君、臣、佐、使配伍方法确定核心方为“固腰方”。采用网络药理学收集“固腰方”110种化学成分、192个活性成分靶点,通过蛋白质-蛋白质相互作用筛选出固腰方治疗腰痛的核心靶点,KEGG通路分析主要与肿瘤坏死因子、丝裂原激活蛋白激酶、核因子激活的B细胞的κ-轻链增强、Wnt、酪氨酸激酶受体等经典信号通路相关。结论:李应存教授治疗腰痛以扶正祛邪、寓功于补为治则,核心复方的挖掘为中医药治疗腰痛的用药经验总结、新处方挖掘及中医药现代化提供了新思路。网络药理学结果提示“固腰方”治疗腰痛主要涉及炎性因子的调节和释放、免疫微环境、促进细胞凋亡等。

Objective:To explore the medication rules of Professor LI Yingcun,a Dunhuang medicine physician,on low back pain based on data mining and network pharmacology,and select the core prescription,so as to reveal the molecular mechanism of core prescription on low back pain.Methods:The prescriptions of Professor LI Yingcun for clinical treatment of low back pain were collected.The TCM Inheritance Support System Platform(TCMISS V2.5)were adopted to mine the medication rules and to select core prescriptions.The active components and targets were predicted.The GO enrichment analysis and KEGG pathway enrichment analysis were performed to analyze the action mechanism of core prescriptions on low back pain.Results:More than 100 prescriptions were collected in the study.According to the statistics of high-frequency medicines,the core medicines was“Shu Dihuang(Rehmannia glutinosa)-Huangqi(Astragalus)-Danggui(Angelica)-Niuxi(Achyranthes bidentata)-Gancao(Licorice)”,and the Guyao prescription(固腰方)was determined as the core prescription through the compatibility method of king,minister,assistant,and ambassador.A total of 110 chemical components and 192 active ingredient targets of the Guyao prescription were screened by network pharmacology.The core targets of the Guyao prescription on low back pain were screened through PPI interaction.The KEGG pathway analysis was mainly related to TNF,MAPK,NF-κB,Wnt,ErbB and other classical signaling pathways.Conclusion:Professor LI Yingcun treats low back pain based on the principles of strengthening the body resistance and eliminating pathogenic factors,integrating attack and replenishment.The excavation of the core prescription provides new ideas for the experience summary of TCM medicines on low back pain,the excavation of new prescriptions,and the modernization of TCM.The results of network pharmacology suggest that the Guyao prescription on low back pain mainly involves the regulation and release of inflammatory factors,immune microenvironment,promoting cell apoptosis and so on.