基于图网络和网络药理学探讨名老中医治疗腰椎间盘突出症用药规律及作用机制  

Exploration of Medication Law and Mechanisms for Lumbar Disc Herniation Treatment by TCM Experts Based on Graph Data Model and Network Pharmacology

作　　者：席崇程 孙资金 佟常青 张杰[1] 余阳[1] 翟双庆[2] XI Chongcheng;SUN Zijin;TONG Changqing;ZHANG Jie;YU Yang;ZHAI Shuangqing(Chengdu University of Traditional Chinese Medicine,Chengdu 611137,China;Beijing University of Chinese Medicine,Beijing 100029,China)

机构地区：[1]成都中医药大学,四川成都611137 [2]北京中医药大学,北京100029

出　　处：《中国中医药图书情报杂志》2024年第2期93-100,共8页Chinese Journal of Library and Information Science for Traditional Chinese Medicine

基　　金：国家重点研发计划(2018YFC1704100、2018YFC1704105);四川省自然科学基金(2023NSFSC1811);成都中医药大学博士后启动基金(030058169)。

摘　　要：目的挖掘治疗腰椎间盘突出症常用中药,并探讨这些药物的作用机制,为新药开发和临床治疗腰椎间盘突出症提供指导。方法基于课题收集的名老中医治疗腰椎间盘突出症的临床病例,以Python语言调用相关包将机器学习算法模型的结果构建药物网络图;基于图数据模型在药物网络图上进行药物重要性判定,然后使用TCMSP与BATMAN数据库获取重要药物信息,使用DisGeNET、GeneCards与OMIM获取疾病信息,并对交集靶点进行后续研究。使用STRING、GO与KEGG数据库进行蛋白互作分析与富集分析,以了解其潜在治疗机制。结果本研究纳入476例符合要求的病例,共得到高频药物40味,高频药对81对。基于高频药对构建药物网络图,进行步长为7的无回退随机游走,共获得42503924条路径图。以每味药物作为起点,从所有路径中寻找基于每个起点的最短路径,共获得86条最短路径图,并基于最短路径图获得常用药物9个;根据网络药理学预测出常用药物活性成分共258个,与疾病的交集靶点基因共58个,GO分析共获得2324个条目,KEGG通路研究共获得144条具有统计学意义的相关途径。结论名老中医治疗腰椎间盘突出症主要从补肝益肾、祛风除湿、活血化瘀三方面组方,具有多方位、多靶点的特点。根据网络药理学预测结果,常用药物治疗腰椎间盘突出症的主要机制为炎症相关机制与脂质代谢相关机制。Objective To uncover commonly used Chinese materia medica for the treatment of lumbar disc herniation;To explore the underlying mechanism;To provide reference for new drug development and clinical treatment of lumbar disc herniation.Methods Clinical cases of lumbar disc herniation treated by TCM experts were collected for constructing a drug network graph using machine learning algorithms through Python based on the project.The graph data model was employed to determine drug importance,and TCMSP and BATMAN databases were utilized to obtain information on important drugs.Disease information was obtained from DisGeNET,GeneCards and OMIM,with subsequent investigation of intersecting target genes.STRING,GO and KEGG databases were used for protein interaction analysis and enrichment analysis to understand potential therapeutic mechanisms.Results The study included 476 eligible cases,identifying 40 kinds of high-frequency Chinese materia medica and 81 high-frequency drug pairs.A drug network graph was constructed based on high-frequency drug pairs,and a non-backtracking random walk with a step size of 7 generated 42503924 path diagrams.Starting from each kind of Chinese materia medica,86 shortest path graphs were obtained,leading to the identification of 9 kind of commonly used Chinese materia medica.Network pharmacology predicted 258 active components of commonly used Chinese materia medica,with 58 genes intersecting with disease-related genes.GO analysis yielded 2324 entries,and KEGG pathway analysis identified 144 statistically significant pathways.Conclusion TCM experts treatment for lumbar disc herniation primarily involves tonifying the liver and kidney,dispelling wind and dampness,and promoting blood circulation to remove stasis,with a multi-directional and multi-target characteristic.The primary mechanism of commonly used drugs in the treatment of lumbar disc herniation used by TCM experts involves inflammation-related pathways and lipid metabolism.

关 键 词：图数据模型 机器学习 网络药理学 腰椎间盘突出症 中医药 

分 类 号：R285[医药卫生—中药学]