Abstract：Objective: To explore the active compounds and the potential mechanism of Herba Houttuyniae for the treatment of chronic obstructive pulmonary disease (COPD) by network pharmacology and molecular docking. Methods: TCMSP,Universal Protein (UniProt) were used to search the active components and targets of Herba Houttuyniae.DisGeNet databases,Drugbank,Therapeutic Target Database(TTD),GeneCards databases were used to search the targets of COPD.The Venny 2.1.0 online analysis tool was used to obtain the potential targets of Herba Houttuyniae in the treatment of COPD.The potential targets of gene ontology(GO) analysis and Kyoto encyclopedia of genes and genomes(KEGG) pathway enrichment analysis were conducted through DAVID database,and the results were visualized with the ggplot package in R.The protein-protein interaction of potential targets were searched using STRING database.Cytoscape 3.10.1 software was applied for the construction of the medicine-active components-targets-disease network map,CytoNCA add-ons was used to screen key targets.AutoDock Tools Version 1.5.7 software was used to perform molecular docking of the four components of Herba Houttuyniae and the key targets of Herba Houttuyniae in the treatment of COPD. Results: 4 active components of Herba Houttuyniae were obtained: quercetin,kaempferol,isolamarone,and ruvoside_qt,105 potential targets for the treatment of COPD and 4 key targets: tumor protein 53(TP53),protein kinase B(AKT1),tumor necrosis factor(TNF),and lnterleukin-6(IL-6),which are mainly involved in processes such as inflammatory response and regulate pathways such as the phosphoinositide 3-kinase(PI3K)/protein kinase B(Akt) signaling pathway.Molecular docking results show that most of the main active components of Herba Houttuyniae have good binding affinity with COPD receptors. Conclusion: Herba Houttuyniae may act on key targets such as TP53,AKT1,TNF and IL-6 through active components such as quercetin,kaempferol,isolamarone,and ruvoside_qt,regulate PI3K/Akt signaling pathway and other pathways,exert anti-inflammatory,antioxidative stress,delay the progression of emphysema,and improve lung function,providing a theoretical basis for Herba Houttuyniae in the treatment of COPD.
朱昊雪, 赵明珍, 张泓波, 赵志伟. 基于网络药理学和分子对接探讨鱼腥草治疗慢性阻塞性肺疾病的作用机制[J]. 河北医学, 2025, 31(1): 72-77.
ZHU Haoxue, ZHAO Mingzhen, ZHANG Hongbo, et al. The Mechanism of Herba Houttuyniae in the Treatment of COPD on Network Pharmacology and Molecular Docking. HeBei Med, 2025, 31(1): 72-77.
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