摘要
Abstract
Objective:To explore the mechanism of the Baitong decoction(白通汤)in the treatment of COPD based on network pharmacology and molecular docking.Methods:Through TCMSP,PubChem database combined with SwissADME and SwissTargetPrediction platform,the active components and corresponding targets of the Baitong decoction were collected and screened.GeneCards,OMIM and DisGeNET databases were used to query COPD disease targets,and the intersection targets were selected.STRING database and Cytoscape 3.7.2 were used to construct the"compound drug-ingredient-target"network diagram of the Baitong decoction in the treatment of COPD,and PPI network was established for key targets.The GO function and KEGG pathway enrichment analyses of potential targets were analyzed using DAVID database.Finally,AutoDockTools 1.5.6 was applied to verify the molecular docking of the active ingredients and key targets of the drug.Results:The active ingredients of the Baitong decoction were collected and screened,including karanjin,delphinium glycoside,8-Methoxyl kaempferol,deoxyandrographolide,kaempferol,etc.The potential therapeutic targets of the Baitong decoction in the treatment of COPD included MMP9,BcL-2,TNF,etc.GO functional enrichment analysis yielded 990 entries,and KEGG pathway enrichment analysis yielded 158 signaling pathways,mainly involving cancer pathway,metabolic pathway,PI3K-Akt pathway,etc.The results of molecular docking showed that the active components of the Baitong decoction had good binding force with the key target proteins.Conclusion:This study explored and predicted the active components,targets,and pathways of the Baitong decoction in the treatment of COPD.It showed that the Baitong decoction could act on TNF,AKT1 and other targets through active ingredients such as karanjin and kaempferolby regulating signaling pathways including PI3K-Akt signaling pathway to treat COPD,which provided a theoretical basis for the clinical application of the Baitong decoction in the treatment of COPD.关键词
白通汤/慢性阻塞性肺疾病/网络药理学/作用机制Key words
The Baitong decoction/Chronic obstructive pulmonary disease/Network pharmacology/Mechanism of action分类
医药卫生
