基于网络药理学探究小青龙汤治疗新型冠状病毒肺炎的作用机制

doi:10.3976/j.issn.1002-4026.2023.03.002

Abstract

Abstract:

This research aims to study the mechanism of Xiaoqinglong Decoction in the treatment of coronavirus disease 2019 (COVID-19) based on network pharmacology. The traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) online tool was used to screen the active ingredients of Xiaoqinglong Decoction. PubChem, SwissTargetPrediction, and TCMSP databases were used to obtain the potential targets of eight traditional Chinese medicines. OMIM, DisGeNET, and GeneCards databases were used to obtain COVID-19 and delta variant of COVID-19 related targets. The intersecting targets of eight traditional Chinese medicines and Xiaoqinglong decoction and COVID-19 were screened using online tool Venny 2.1, and a Venn diagram was prepared. The Cytoscape 3.7.2 software was used to construct Xiaoqinglong Decoction-components-(COVID-19)-target network. After using STRING database to collect data, protein-protein interaction network was built online. Metascape database was used for gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) enrichment analysis, and the GO and KEGG enrichment analysis maps were plotted using Weishengxin online plotting tool. Molecular docking was performed using the AutoDockTools 1.5.6 software. A total of 169 active ingredients, 1 363 targets of Xiaoqinglong Decoction, and 292 intersecting targets of drugs and diseases were screened. A total of 2 393 biological process, 168 cell components, 264 molecular functions were obtained via GO enrichment analysis. A total of 225 pathways were obtained via KEGG. Molecular docking showed that the core components of Xiaoqinglong Decoction screened in this study combined well with the COVID-19 related targets. Xiaoqinglong Decoction could treat COVID-19 through TNF, AKT1, GAPDH, IL-6, ALB, TP53, IL-1β, VEGFA, STAT3, EGFR, and other targets and participate in MAPK signaling pathway, PI3K-Akt signaling pathway, AGE-RAGE signaling pathway in diabetes complications, and other pathways.

Key words: Xiaoqinglong Decoction, COVID-19, network pharmacology, action mechanism

CLC Number:

R285

ZHU Jie, WANG Zheng, LIANG Yanni. The mechanism of Xiaoqinglong Decoction in treatment of COVID-19 based on network pharmacology[J].Shandong Science, 2023, 36(3): 10-17.

Figures/Tables 3

References 43

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活性成分	核心靶点		活性成分	核心靶点
活性成分	ACE2	PLP	活性成分	ACE2	PLP
槲皮素	-7.9	-8.9	甘草黄酮	-6.6	-8.0
山柰酚	-8.1	-9.1	光甘草宁	-6.1	-7.7
β-谷甾醇	-9.2	-8.3	半甘草异黄酮B	-6.4	-6.5
儿茶素	-7.8	-9.1	丁子香萜	-9.4	-7.0
黄芩苷	-9.8	-9.4	豆甾醇	-7.9	-6.5
芍药苷	-8.5	-7.9	紫杉醇	-4.7	-5.7
甘草酚	-6.8	-7.7	柚皮素	-5.9	-5.8
松柏素	-6.3	-5.1

The mechanism of Xiaoqinglong Decoction in treatment of COVID-19 based on network pharmacology

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