摘要
目的:通过数据挖掘和网络药理学的方法探讨治疗2型糖尿病气阴两虚证型的方剂,并筛选出关键药物,运用网络药理学的方法分析其作用机制。方法:使用专业检索式在知网和万方数据库中检索符合条件的治疗2型糖尿病气阴两虚证型的文献并提取方剂,使用中医传承计算平台(TCMSP)对方剂中的药物进行分析。筛选出关键药对黄芪-地黄后,通过TCMSP平台搜寻黄芪成分,文献收集地黄有效成分,并运用Pubchem数据获得地黄成分,SMILES导入到结构相似度预测靶点数据库Swiss Target Prediction预测靶点。并通过herb平台补充地黄有效靶点。运用Cytoscape 3.8.2软件进行网络拓扑学分析,构造“中药-成分-靶点”的网络图。运用GeneCards、OMIM平台获取疾病相关靶点,使用“VLOOKUP”函数匹配靶点基因名,筛选药物和疾病交集基因。应用Venny软件获取中药活性化合物作用靶点与糖尿病的交集靶点,通过String平台构建交集靶点之间蛋白互作关系。通过Metascape平台进行GO功能和KEGG通路富集分析。用AutoDock软件通过分子对接验证活性成分与核心靶点的结合能力。结果:由网络药理学分析得到黄芪-地黄16个活性成分,活性成分相关靶点555个。2型糖尿病靶点4458个,交集靶点310个。GO富集中得到BP 4952条,MF 717条,CC 387条。KEGG富集得到通路289条,主要涉及AGE-RAGE通路、IL-17信号通路及TNF信号通路等。结论:气阴两虚型糖尿病的核心治疗药物为黄芪-地黄,可通过多成分、多通路、多靶点干预2型糖尿病。
Objective:To explore the prescriptions for the treatment of type 2 diabetes mellitus(T2DM)with deficiency of both qi and yin syndrome through data mining and network pharmacology,screen out key drugs,and analyze its mechanism of action using network pharmacology.Methods:The qualified literature on the treatment of T2DM with deficiency of both qi and yin syndrome was retrieved in CNKIl and Wanfang databases using professional search methods,and the prescriptions were extracted,and the drugs in the prescriptions were analyzed using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).After screening out the key drug pair of Astragali Radix-Rehmanniae Radix,search the components of Astragali Radix through the TCMSP platform,collect the effective components of Rehmanniae Radix from the literature,and use the Pubchem data to obtain the components of Rehmanniae Radix.SMILES is imported into the structural similarity prediction target database Swiss Target Prediction to predict the target.And through the herb platform to supplement effective targets.The network topology analysis is carried out by using the Cytoscape 3.8.2 software,and the network diagram of"Chinese medicinals-components-targets"is constructed.Use GeneCards and OMIM platform to obtain disease-related targets,use"VLOOKUp"function to match target gene name,and screen drug and disease intersection genes.Venny software was used to obtain the intersection targets of active compounds of Chinese medicinals and diabetes,and the protein interaction relationship between the intersection targets was constructed through the String platform.The enrichment analysis of GO function and KEGG pathway is carried out through Metascape platform.AutoDock software is used to verify the binding ability of active components and core targets through molecular docking.Results:According to the network pharmacological analysis,16 active components of Astragali Radix-Rehmanniae radix were obtained,and 555 targets related to the active components.There are 4458 T2DM targets and 310 intersection targets.GO enrichment obtained BP4952,MF717 and CC387.There are 289 pathways enriched by KEGG,mainly involving AGE-RAGE pathway,IL-17 signaling pathway and TNF signaling pathway.Conclusion:The core drug pair for diabetes with deficiency of both qi and yin syndrome is Astragali Radix-Rehmanniae Radix,which can intervene in T2DM through multi-component,multipathway and multi-target.
作者
侯亚琼
王辉
郭彦魁
宋献美
HOU Yaqiong;WANG Hui;GUO Yankui;SONG Xianmei
出处
《新中医》
CAS
2023年第9期12-19,共8页
New Chinese Medicine
基金
河南省中医药科学研究专项课题(2022ZY1178)。
关键词
2型糖尿病
数据挖掘
气阴两虚证
网络药理学
黄芪-地黄
Type 2 diabetes mellitus
Data mining
Deficiency of both qi and yin syndrome
Network pharmacology
Astragali Radix-Rehmanniae Radix
