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Outline
Ultra-high performance liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry (UPLC-QTOF-MS/MS) was used to analyze and identify the chemical components of Dabufei Decoction (DBFT). Combined with network pharmacology, the mechanism of action of DBFT in the stable phase of chronic obstructive pulmonary disease (COPD) was explored. Under positive and negative ion modes, the chemical components of DBFT were identified based on information such as the accurate molecular weight of compounds, MS/MS fragmentation rules, and literature-reported data. Then, combined with the TCMSP database and literature mining, the active components and action targets of DBFT were obtained. Targets related to the stable phase of COPD were retrieved from the OMIM and Gene Cards databases. The overlapping targets between drug targets and disease targets were screened out, imported into the STRING database and Cytoscape 3.10.3 to construct a protein-protein interaction (PPI) network, and Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses of core targets were performed using the Metascape database. The results showed that a total of 132 chemical components were identified in DBFT, among which 87 components were derived from the "Yong" group of herbs, 49 from the "Ti" group of herbs, 4 from the "Hua" group of herbs, and 8 components were shared by the "Ti" and "Yong" groups of herbs. A total of 84 potential active components of DBFT were screened out based on the Swiss ADME gastrointestinal absorption and five principles of druggability. There were 294 common targets with the stable phase of COPD, and 87 core targets were obtained through calculation using Cytoscape. The KEGG-enriched pathways mainly included the PI3K-AKT signaling pathway, HIF-1α signaling pathway, AGE-RAGE signaling pathway, EGFR tyrosine kinase inhibitor resistance, and MAPK signaling pathway, which played a role in the treatment of the stable phase of COPD. Among them, the "Ti" group of herbs mainly acted on the C-type lectin receptor signaling pathway, the "Yong" group of herbs acted on the PI3K-AKT signaling pathway, and the "Hua" group of herbs acted on the differentiation process of Th17 cells. The research results provide a scientific basis and support for the clinical application and in-depth study of this prescription.
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| 科 Family | 属数 Number of genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) | 属 Genus | 种数 Number of species | 占总种数比例 Percentage of total species (%) |
|---|---|---|---|---|---|---|
| 鹅膏菌科Amanitaceae | 2 | 11 | 5.26 | 鹅膏菌属 Amanita | 10 | 4.78 |
| 小菇科 Mycenaceae | 2 | 12 | 5.74 | 丝盖伞属 Inocybe | 5 | 2.39 |
| 多孔菌科 Polyporaceae | 8 | 14 | 6.70 | 蜡蘑属 Laccaria | 5 | 2.39 |
| 红菇科 Russulaceae | 3 | 23 | 11.00 | 小皮伞属 Marasmius | 6 | 2.87 |
| 小菇属 Mycena | 11 | 5.26 | ||||
| 光柄菇属 Pluteus | 5 | 2.39 | ||||
| 红菇属 Russula | 17 | 8.13 | ||||
| 栓菌属 Trametes | 5 | 2.39 |
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