苍术治疗新型冠状病毒肺炎(COVID⁃19)分子机制的网络药理学研究

Study on the Molecular Mechanism of Atractylodes lancea in Treating Novel Coronavirus Pneumonia(COVID⁃19)based on Network Pharmacology

目的:通过网络药理学方法探究苍术治疗新型冠状病毒肺炎的作用靶点及分子机制。方法:通过中药系统药理学分析平台(TCMSP)数据库筛选苍术的活性成分及对应靶点,通过NCBI、GenCards数据库筛选新型冠状病毒肺炎的相关靶点,两者取交集获得苍术治疗新型冠状病毒肺炎的核心靶标。使用DAVID数据库对交集靶点进行基因本体(GO)功能富集分析和KEGG通路分析,构建苍术活性成分⁃核心靶点⁃作用通路网络图。结果:获得苍术9个活性化合物和59个相应靶点,新型冠状病毒肺炎251个相关靶标,两者映射获得核心靶点19个。KEGG分析得到相关通路51条,主要涉及癌症通路、鞘脂信号通路、PI3K⁃Akt信号通路、神经营养蛋白信号通路、TNF信号通路等。结论:苍术中的活性化合物能通过多个通路作用于RELA、PIK3CG、TNF、IL6、BCL2、MAPK14、CASP3、CX⁃CL8、TP53、BAX、NOS2等靶点,发挥治疗新型冠状病毒肺炎的作用。

Objective:To investigate the targets and molecular mechanism of Atractylodes lancea in treating novel coronavirus pneu⁃monia(COVID⁃19)by network pharmacology.Methods:The effective components and corresponding targets of Atractylodes lancea were screened by using TCMSP,the relevant targets of COVID⁃19 were screened by NCBI and GenCards databases,the intersection of the two was used to obtain the core targets of Atractylodes lancea for the treatment of COVID⁃19.The gene ontology(GO)functional enrichment analysis and KEGG pathway analysis were carried out on the intersection targets using DAVID database,the network diagram of the active components-core targets⁃action pathway of Atractylodes lancea was constructed.Results:Nine active compounds and 59 corresponding targets in Atractylodes lancea and 251 related targets of COVID⁃19 were obtained.19 core targets were obtained by mapping.Through KEGG analysis,51 related pathways were identified,mainly involving cancer pathway,sphingolipid signaling pathway,PI3K⁃Akt signaling pathway,neurotrophin signaling pathway,TNF signaling pathway,etc.Conclusion:The active compounds in Atractylodes lancea can act on RELA,PIK3CG,TNF,IL6,BCL2,MAPK14,CASP3,CXCL8,TP53,BAX,NOS2 and other targets through multiple pathways,play a role in the treatment of COVID⁃19.