基于网络药理学和分子对接技术探讨活血化瘀方治疗糖尿病足的作用机制  

Based on Network Pharmacology and Molecular Docking Technology to Explore the Mechanism of Promoting Blood Circulation and Removing Stasis Prescription in the Treatment of Diabetic Foot

作　　者：贺伟平 黄春[1] HE Weiping;HUANG Chun(Pingxiang People’s Hospital,Pingxiang Jiangxi 337055,China)

机构地区：[1]萍乡市人民医院,江西萍乡337055

出　　处：《药品评价》2022年第23期1409-1416,共8页Drug Evaluation

基　　金：江西省中医药科研课题项目(2019A455)。

摘　　要：目的:采用网络药理学方法和分子对接技术分析活血化瘀方治疗糖尿病足的有效成分和作用机制。方法:检索中药系统药理学数据库与分析平台(TCMSP)数据库,查阅文献获得潜在活性成分及作用靶点,通过GeneCards、OMIM、DDT这3个数据库获得糖尿病足的疾病潜在靶点;在Uniprot数据库将靶点转换成对应的基因靶点,利用Venny2.1.0在线平台获得交集靶点。运用Metascape数据库,对上述获得的关键靶点进行GO功能富集分析和KEGG通路分析;运用String数据库和Cytoscape软件构建蛋白相互作用(PPI)网络和“药物-有效成分-靶点-通路”网络。结果:得到有效成分212个,对应的290个作用靶点,其中三七对应的靶点有181个,黄芪对应的靶点有205个,鸡血藤对应的靶点有137个,牛膝对应的靶点207个,桂枝对应的靶点51个,丹参对应的靶点135个,甘草对应的靶点196个,桑枝对应的靶点68个,合并去除重复的靶点,获得290个靶点。利用各种数据库和平台绘制成分靶点疾病互作网络。结论:活血化瘀方通过槲皮素、山柰酚、木犀草素等活性成分调控PTGS2、ESR1、HSP90AA1等靶点基因,进而调控脂质和动脉粥样硬化,P13K-Akt信号通路起到治疗糖尿病足的效果。Objective:To analyze the active ingredients and mechanism of promoting blood circulation and removing stasis prescription for the treatment of diabetic foot using network pharmacology and molecular docking technology.Methods:The TCMSP database was searched,and the potential active ingredients and action targets were obtained through literature review.The potential disease targets of diabetes foot were obtained through GeneCards,OMIM,and DDT databases.Converted the targets into corresponding gene targets in Uniprot database,and the intersection targets were obtained using the Venny 2.1.0online platform.GO functional enrichment analysis and KEGG pathway analysis were performed by using the Metascape database,and protein interaction(PPI)network and"drug-active ingredient-target-pathway"network were constructed using String database and Cytoscape software.Results:212 active ingredients were obtained,which corresponded to 290 targets,including 181 targets for panax notoginseng,205 targets for astragalus,137 targets for spatholobi caulis,207 targets for achyranthis bidentatae radix,51 targets for cinnamomi ramulus,135 targets for salviae miltiorrhizae radix et rhizoma,196 targets for glycyrrhizae radix et rhizoma,and 68 targets for mori ramulus.The duplicate targets were removed and 290 targets were obtained.The disease interaction network of component targets was mapped using various databases and platforms.Conclusion:The promoting blood circulation and removing stasis prescription modulates target genes such as PTGS2,ESR1 and HSP90AA1through active ingredients such as quercetin,luteolin and kaempferol,and regulate lipids and atherosclerosis,and the P13K-Akt signaling pathway plays a role in the treatment of diabetic foot.

关 键 词：网络药理学 分子对接 活血化瘀方 糖尿病足 

分 类 号：R285[医药卫生—中药学]