基于网络药理学探索除湿防疫散治疗新型冠状病毒肺炎的作用机制

Study on Mechanism of Chushi Fangyi Powder(除湿防疫散)in Treatment of COVID-19 Based on Network Pharmacology

目的运用网络药理学,初步探索除湿防疫散(CSFYS)治疗新型冠状病毒肺炎(COVID-19)的可能机制。方法利用TCMSP、OMIM、GeneCards数据库获取CSFYS的活性成分、药物及疾病的相关靶点。通过String数据库构建蛋白互作网络,并在Cytoscape软件中进行可视化处理。基于DAVID数据库完成GO富集分析及KEGG通路富集分析。运用SwissDock在线分子对接预测。结果CSFYS作用于COVID-19的关键活性成分有143个,共同作用的靶点48个,GO富集分析共筛选到细胞因子、受体配体活性、磷酸酶结合等87个生物过程,KEGG通路富集分析得出154条通路与COVID-19相关,涉及炎症、肿瘤、病毒等信号通路。分子对接结果显示,PTGS1与quercetin的结合最紧密。结论通过网络药理学预测了CSFYS治疗COVID-19的作用机制,为进一步的研究提供参考。

Objective To investigate the mechanism of Chushi Fangyi Powder(除湿防疫散)(CSFYP) for treatment of corona virus disease 2019(COVID-19) based on network pharmacology.Method Using TCMSP, OMIM and GeneCards databases, the active components, drugs and related targets of CSFYP were obtained. The potential targets were introduced into the String database for protein interactions. Protein interaction network was based on String databaseand visualization with Cytoscape. GO function enrichment analysis and KEGG pathway enrichment analysis were carried out based on DAVID database.SwissDock was used for Online Molecular Docking. Results CSFYP had 143 active ingredients and 48 targets. The core ingredients included quercetin, naringenin and β-sitosterol. GO enrichment analysis had screened 87 biological processes including cytokine receptor, cytokine, receptor ligand activity, etc. KEGG pathway enrichment analysis showed that 154 pathways were related to COVID-19, involving inflammation, tumor, virus and other signal pathways. Molecular docking results showed that PTGS1 and quercetin were boundmost closely.Conclusion The mechanism of CSFYP in the treatment of COVID-19 was predicted through network pharmacology,which could provide reference for further study of the pathway of action.