基于网络药理学的小儿肺热咳喘颗粒抗冠状病毒作用机制探讨

目的探索小儿肺热咳喘颗粒抗冠状病毒的潜在作用机制。方法在TCMIP数据库中查找小儿肺热咳喘颗粒的各药材-成分-靶点信息,同时检索全方的候选靶基因,在Genecards数据库中以"coronavirus"为关键词搜索冠状病毒相关靶点,与小儿肺热咳喘颗粒全方活性靶点映射筛选出共同靶点作为研究靶点。将筛选出的共同靶点在已经总结的各药材-成分-靶点数据库中查找到对应的成分及所属药材。将共同靶点导入STRING数据库中构建靶点相互作用网络图,利用Cytoscape3.3.0软件进行可视化处理,筛选出核心靶点。借助OmicsBean分析平台与STRING数据库对靶点进行基因本体(geneontology,GO)分析和KEGG信号通路富集分析。结果总结得到小儿肺热咳喘颗粒342个化学成分,全方靶基因共有737个。Venny映射后的共同靶点48个,对应173个化合物,核心靶点19个,主要化合物27个。GO生物过程(BP)条目3420个,细胞组成(CC)条目239个,分子功能(MF)条目343个。KEGG富集分析得到与小儿肺热咳喘颗粒治疗作用相关的信号通路160条。构建了小儿肺热咳喘颗粒核心靶点的"药材-成分-靶点-通路"网络。结论 173个化合物可通过作用于48个相关靶点,干预160条信号通路,如IL-17信号通路、甲型流感等,主要涉及抗炎、免疫调节、镇咳平喘、抗菌、抗病毒、镇静等方面,为小儿肺热咳喘颗粒治疗冠状病毒相关疾病提供理论依据。

Analysis of anti-coronavirus mechanism of Xiaoer Feire Kechuan Particles based on network pharmacology

Objective To explore the potential anti-coronavirus mechanism of Xiaoer Feire Kechuan Particles (XFKP). Methods TCMIP database was used to search and summarize the information of each medicinal herbs-components-target of XFKP. All the candidate target genes were also searched. "Corona virus" was used as the key word in Genecards database to search for corona virus related targets, and the mapping of the active targets with XFKP were used to select the common targets as the research targets. The selected common targets will be found in the summarized database of each medicinal herbs-components-target. The common targets were imported into the STRING database to construct the network diagram of target interaction, and Cytoscape 3.3.0 software was used for visualization processing to screen out the core targets. With the help of OmicsBean analysis platform and String database, Gene ontology (GO) biological process analysis and KEGG signal pathway enrichment analysis were carried out on the target. Results A total of 342 chemical components and 737 candidate target genes were obtained. Venny mapped 48 common targets, corresponding to 173 compounds, 19 core targets, and 27 main compounds. GO biological process (BP) entries included 3 420, cell component (CC) entries included 239, and molecular function (MF) entries included 343. Through KEGG enrichment analysis, 160 signal pathways related to the therapeutic effect of XFKP were obtained. The "medicinal herbs-components-target-pathway" network of the key targets of XFKP was established. Conclusion The 173 compounds can intervene 160 signaling pathways by acting on 48 related targets, such as IL-17 signaling pathway, influenza A, etc., mainly involving anti-inflammation, immune regulation, relieving cough and asthma, antibacterial, antiviral and sedative aspects, providing theoretical basis for the treatment of corona virus-related diseases with XFKP.