青娥丸防治绝经后骨质疏松症的血清移行成分的网络药理学机制

The network pharmacological mechanism of serum components of clinical prescription Qingfe pills in the prevention and treatment of postmenopausal osteoporosis

目的 借助系统网络药理学及分子对接技术分析青娥丸治疗绝经后骨质疏松症的血清移行成分的机制.方法 通过中国知网、万方、维普、Pubmed等平台查阅文献,选取已经过实验研究验证的青娥丸组分中的入药血清成分作为研究对象.通过靶点预测数据库预测成分分子可能的作用靶点;应用GeneCard、Drugbank等疾病数据库检索疾病基因,应用venny2.1映射获取交集基因,应用STRING数据库、Cytoscape_v3.8.0软件中的Cyto NCA插件筛选核心基因并绘制蛋白质-蛋白质相互作用网络,使用Cytoscape_v3.8.0软件绘制中药-化合物-靶点-疾病网络,应用R语言和Clue go插件进行基因本体论分析、KEGG通路富集分析,应用AutoDock Tools 1.5.6和Discovery Studio 2020软件做分子对接分析.结果 共9种入血成分,81个交集基因,25个核心靶点,涉及137个生物过程、可能通过HIF-1 signaling pathway、AGE-RAGE signaling pathway in diabetic complications等41条通路治疗骨质疏松,分子对接显示关键血清成分与核心靶点具有较强的亲和力,结合性较好.结论 青娥丸中九种入血成分可能是治疗绝经后骨质疏松症的主要物质基础,为深入阐明该复方的作用机制提供一定依据.

Objective To explore the mechanism of serum components of Qing'e pill in the treatment of osteoporosis by systematic network phannacology and molecular docking.Methods Through the databases of CNKI,Wanfang,VIP and Pubmed,the serum components of Qing'e pills that have been verified by experimental research were selected as the research object.Predict the possible targets of component molecules through the target prediction database,use Genecard,Dnigbank and other disease databases to retrieve disease genes,and use venny2.1 mapping to obtain intersection genes.Screen for core genes and sketch protein-protein interaction network using STRING database and Cyto NCA plugin in Cytoscape_v3.8.0 software.Cytoscape_V3.8.0 software was used to draw traditional Chinese medicine-compound-target-disease network.Gene ontology analysis and KEGG pathway enrichment analysis were carried out by using Clue go plug-in and R language respectively.Finally,molecular docking analysis was carried out by using AutoDock tools 1.5.6 and Discovery Studio 2020 software.Results A total of 9 blood components,81 interaction genes and 25 core targets were obtained,involving 137 biological processes,might treat osteoporosis through 41 pathways such as HIF-1 signaling pathway,AGE-RAGE signaling pathway in diabetic complications,etc.Molecular docking showed that the key serum components had strong affinity and good binding with the core target.Conclusion The nine blood components in Qing'e pills may be the main material basis for the treatment of postmenopausal osteoporosis.This paper can provide some basis for Rirther elucidating the mechanism of action of the compound.