摘要
目的:探讨吉贝咳喘胶囊防治新型新冠病毒肺炎(COVID-19)潜在活性成分和可能的作用机制。方法:通过TCMSP、Swiss Target Prediction、Uniprot等数据库并结合文献挖掘吉贝咳喘胶囊的活性成分和作用靶点,通过Genecards生物数据库筛选出COVID-19相关靶点,取两者交集,交集靶点导入STRING数据库得PPI网络,筛选核心靶点,将其导入David数据库进行基因本体(GO)功能、京都基因和基因百科全书(KEGG)通路富集分析。结果:筛选出吉贝咳喘胶囊168个活性成分和797个潜在靶点,2573个疾病相关靶点,药物与疾病共有211个交集靶点,构建“药物–化合物–作用靶点–疾病”网络,显示黄芩素、山柰酚、β-谷甾醇、槲皮素、柚皮素、木犀草素等活性化合物在整个网络中发挥着关键作用。吉贝咳喘胶囊可能通过调节IL6、HIF1A、EGFR、TP53、JUN、AKT1、IL1B、TNF、MAPK3等靶点,主要涉及药物应答、炎症反应、RNA聚合酶II启动子转录的正调控等,干预TNF通路、Toll样受体通路、PI3K-Akt通路、MAPK通路、肺炎通路、HIF-1通路、癌症通路等相关信号通路,从而发挥治疗COVID-19的作用。结论:该研究通过网络药理学方式探讨了吉贝咳喘胶囊可能发挥治疗COVID-19作用的主要活性成分、靶点以及相关通路,可为进一步研究提供参考。
Objective: To study the potential active ingredients and possible mechanism of Jibei Kechuan Cap-sules to prevent and treat the new coronavirus (COVID-19). Methods: Use TCMSP, Swiss Target Pre-diction, Uniprot and other databases to mine the active ingredients and targets of Jibei Kechuan Capsules in combination with literature, screen out COVID-19 related targets through Genecards bi-ological database, and take the intersection of the two and the intersection of the targets, import the PPI network from the STRING database, screen the core targets, and import them into the David database for gene ontology (GO) function, Kyoto Gene and Gene Encyclopedia (KEGG) pathway en-richment analysis. Results: 168 active ingredients and 797 potential targets of Jibei Kechuan Cap-sules, 2573 disease-related targets, and 211 intersection targets for drugs and diseases were screened out, constructing a “drug-compound-action target-disease” network, Showing that bai-calein, kaempferol, β-sitosterol, quercetin, naringenin, luteolin and other active compounds play a key role in the entire network. Jibei Kechuan Capsules may intervene by regulating IL6, HIF1A, EGFR, TP53, JUN, AKT1, IL1B, TNF, MAPK3 and other targets, mainly involving drug response, in-flammation, and the positive regulation of RNA polymerase II promoter transcription. TNF pathway, Toll-like receptor pathway, PI3K-Akt pathway, MAPK pathway, pneumonia pathway, HIF-1 pathway, cancer pathway and other related signaling pathways, so as to play a role in the treatment of COVID-19. Conclusion: This study explored the main active ingredients, targets and related path-ways of Jibei Kechuan Capsules that may play a role in the treatment of COVID-19 through network pharmacology, which can provide references for further research.
出处
《药物化学》
2021年第4期144-153,共10页
Hans Journal of Medicinal Chemistry
