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OBJECTIVE To explore the mechanism of Wendan Decoction in the treatment of chronic obstructive pulmonary disease (COPD). METHODS Firstly, based on the network pharmacology method, the potential mechanism of Wendan Decoction in the treatment of COPD was revealed by using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP), Swiss Target Prediction and Metascape databases. Secondly, the intervention effect of Wendan Decoction on endogenous metabolite disorder induced by COPD was studied by metabolomics method. Finally, the results of network pharmacology and metabolomics were integrated through MetScape algorithm, and molecular simulation docking and molecular biology methods were used to study the mechanism of Wendan Decoction in the treatment of COPD. RESULTS The results of network pharmacology revealed 102 active components of Wendan Decoction and 98 potential targets for the treatment of COPD. Further analysis showed that 11 potential pharmacodynamic substances of Wendan Decoction, including 3-tert-butyladipic acid, 6-methylgingediacetate and licoisoflavanone may play a role in regulating lipid and atherosclerosis, CAMP signaling pathway, PI3K-Akt signaling pathway and IL-17 signaling pathway. On the other hand, metabolomics studies have shown that 9 endogenous substances, such as 2-propanol, N-acetylneuraminic acid, threonine, protocholic acid, 2-oxoisovalerate, acetylphosphate, citrate and isobutyric acid, may be the key metabolites of Wendan Decoction in the treatment of COPD. Finally, the integrated analysis showed that lipid metabolism and amino acid metabolism might be the key processes of Wendan Decoction in the treatment of COPD. XDH, KDR, PDE5 A, CYP2C9 and CYP2C19, which were related to oxidation and inflammation, were the potential key targets of Wendan Decoction in the treatment of COPD. The results showed that Wendan Decoction could effectively improve the pathological state of pulmonary congestion, edema and inflammatory cell infiltration in COPD rats, significantly reduce the content of IL-6, TNF-α and MDA activity in lung tissue of COPD rats, and increase SOD activity. Moreover, the molecular docking results also revealed the correlation between potential pharmacodynamic substances and core target genes. CONCLUSION The integrated pharmacological studies based on metabolomics, network pharmacology and molecular docking showed that Wendan Decoction might achieve the effect of treating COPD by regulating inflammatory response, oxidative stress, lipid metabolism and amino acid metabolism.
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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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