Study on the potential mechanism of SMXBT in the treatment of AECOPD by network pharmacology and molecular docking
10.12206/j.issn.2097-2024.202311018
- VernacularTitle:基于网络药理学与分子对接探讨桑麻杏贝汤治疗慢性阻塞性肺疾病急性加重期的机制研究
- Author:
Liangshan LIU
1
;
Zhiyao BAO
2
;
Liuhui SHI
3
;
Hua NIAN
1
;
Minghua MA
4
;
Zhenwei WANG
1
Author Information
1. Yueyang Hospital of Integrative Medicine, Shanghai University of Traditional Chinese Medicine, Shanghai 200080，China.
2. Institute of Respiratory Disease, School of Medicine, Shanghai Jiaotong University, Shanghai 200025，China.
3. Civil Aviation Shanghai Hospital, Shanghai 200336， China.
4. Shanghai Yangpu District Central Hospital, Shanghai 200090，China.
- Publication Type:Originalarticles
- Keywords:
Sangma Xingbei Tang（SMXBT）;
acute exacerbation of chronic obstructive pulmonary disease（AECOPD）;
network pharmacology;
molecular docking;
inflammatory
- From:
Journal of Pharmaceutical Practice and Service
2026;44(3):144-151
- CountryChina
- Language:Chinese
-
Abstract:
Objective To explore the potential molecular mechanism of Sangma Xingbei Tang （SMXBT） in the treatment of acute exacerbation of chronic obstructive pulmonary disease （AECOPD）. Methods TCMSP and TCMID databases were searched for the active ingredients of SMXBT, the targets of the active ingredients were predicted by SwissTargetPrediction database, and the AECOPD-related targets were searched by GeneCards and OMIM databases; the drug-active ingredient-target network and protein interaction network were constructed, and the GO enrichment and KEGG pathway enrichment were analyzed by the DAVID database. The drug-active ingredient-target network and protein interaction network were constructed, and the GO enrichment and KEGG pathway enrichment were analyzed by DAVID database, and molecular docking was performed by AutoDock Tools software. Animal experiments were conducted for validation. Results 192 active ingredients were obtained and 1066 targets were predicted in SMXBT. Network analysis showed that the top 3 active ingredients in SMXBT were quercetin, kaempferol, and glycyrrhizin, and the top 3 therapeutic targets were TNF, ALB, and IL-1β, etc. The GO analysis and KEGG showed that the main pathways were the cancer pathway, the MAPK signaling pathway, and the PI3K-Akt signaling pathway. Molecular docking showed that the binding energies of glycyrrhizin and AKT1, IL-1β, GFR, SRC, and quercetin and kaempferol and IL-1β were all <−5 kcal·mol. Animal experiments showed that Sangma Xingbei Decoction could treat AECOPD by anti-inflammatory effects and reduce changes in lung tissue structure. Additionally, it could lower the serum inflammatory levels of TNF-α, IL-6, and IL-8. Conclusion SMXBT may act on the targets of AKT1, IL-1β, EGFR, SRC, etc., reduce the serum inflammation levels of TNF-α, IL-6, IL-8, and improve the lung tissue structure and inflammatory response to achieve the therapeutic effect on AECOPD through the modulation of the PI3K/Akt signaling pathway, the MAPK signaling pathway, the cancer pathway, and other pathways of action.
