摘要
Abstract
Objective:To investigate the mechanisms of Gancao Fuzi Decoction(甘草附子汤)on knee osteoarthritis(KOA)through network pharmacology and molecular docking approaches.Methods:Active components of Gancao Fuzi Decoction and their targets were screened via the TCMSP.Disease-related targets of KOA were retrieved and selected from GeneCards and OMIM databases.Venn diagram was made by Venny 2.1.0 to obtain overlapping targets of medicines and disease.The overlapping targets were imported into the STRING platform to construct the protein-protein interaction network diagram,and core targets were screened by Cytoscape 3.10.3 to establish the medicine-active component-target network diagram.Key compounds were screened out according to degree values.The GO enrichment analysis and KEGG signaling pathway enrichment analysis were performed on overlapping targets by the Metascape,and the analysis result was visualized as bar chart and bubble chart respectively by the Bioinformatics platform.Molecular docking between five core targets and five key compounds were conducted by the Autodock Vina 1.2.5,followed by visual display by the PyMOL 2.6.1.Results:The key active components of Gancao Fuzi Decoction in the treatment of KOA included quercetin,kaempferol,naringenin,7-methoxy-2-methylisoflavone,formononetin.The core targets included TNF,IL-6,AKT1,IL-1B,and TP53.The key signaling pathways involved were mainly IL-17 signaling pathway,TNF signaling pathway,and MAPK signaling pathway.The molecular docking results demonstrated stable binding abilities between key compounds and critical targets.Conclusion:Gancao Fuzi Decoction exerts therapeutic effects on KOA through multi-target and multi-pathway.关键词
甘草附子汤/骨性膝关节炎/网络药理学/分子对接Key words
Gancao Fuzi Decoction/Knee osteoarthritis/Network pharmacology/Molecular docking分类
医药卫生
