基于网络药理学分析牙周炎与动脉粥样硬化的分子机制

Analysis of the mechanism of periodontitis and atherosclerosis based on network pharmacology

目的采用生物信息学方法分析牙周炎与动脉粥样硬化(AS)的关联,基于网络药理学和分子对接解析桂花提取物治疗AS与牙周炎的分子机制。方法获取牙周炎和AS基因表达数据集,筛选出核心基因,对核心基因进行基因本体论富集与京都基因和基因组数据库通路功能注释分析。通过分析桂花提取物的主要成分,预测桂花提取物治疗AS、牙周炎的作用靶点,并进行分子对接。结果牙周病GSE23586数据集与AS GSE28829数据集共有ITGB2、ITGAM等10个核心基因,主要富集在过氧化物代谢过程等生物过程中。从桂花提取物中筛选出7种主要成分、30个治疗牙周炎的靶点和6个治疗AS的靶点。分子对接结果表明,桂花提取物与EGFR、GSK-3β等靶基因具有良好的结合活性。结论鉴定出的基因和通路可能是牙周炎合并AS的潜在治疗靶点,桂花提取物可通过筛选出的基因发挥治疗作用,为疾病分子机制及治疗提供新依据。

Objective To analyze the relationship between periodontitis and atherosclerosis(AS)by bioinfor-matics,and to analyze the molecular mechanism of Osmanthus fragrans extract in the treatment of periodonti-tis and AS based on network pharmacology and molecular docking.Methods Periodontitis and AS gene ex-pression datasets were obtained,the core genes were screened out,and gene ontology enrichment and Kyoto Encyclopedia of Genes and Genomes pathway functional annotation analysis were performed on the core genes.According to the main components of Osmanthus fragrans extract,its targets for the treatment of peri-odontitis and AS were predicted,and molecular docking was carried out.Results The periodontitis GSE23586 dataset and AS GSE28829 dataset shared 10 core genes including ITGB2 and ITGAM,which were mainly enriched in biological processes such as peroxide metabolism.Seven main components,30 targets for the treatment of periodontitis and 6 targets for the treatment of AS were screened out from the Osmanthus fra-grans extract.Molecular docking results showed that Osmanthus fragrans extract had a good binding activity to target genes such as EGFR and GSK3β.Conclusion The identified genes and pathways may be potential therapeutic targets for periodontitis combined with AS.Osmanthus fragrans extract can play a therapeutic role through the screened genes,providing a new basis for the molecular mechanism and treatment of diseases.