A study on the mechanism of treating intervertebral disc degeneration with Jingui Shenqi Wan based on network pharmacology and molecular docking
Objective:To investigate the mechanism of treating intervertebral disc degeneration with Jingui Shenqi Wan(金匮肾气丸)based on network pharmacology and molecular docking.Methods:The active ingredients and drug targets of Jingui Shenqi Wan were obtained in the ETCM.Intervertebral disc degeneration action targets were retrieved in GeneCards database,the drug and disease action targets were intersected,and then the network diagram of drugs-components-pathways was drawn.The protein-protein interaction network was performed by STRING,and core targets were searched.Core targets enrichment information and potential pathways were obtained by GO and KEGG analyses.Finally,molecular docking validation of the active ingredients and key targets was performed by MOE software.Results:(1)There were 125 kinds of active components of Jingui Shenqi Wan,including stachyose,β-sitosterol,Alisol A and so on.(2)There were 97 common targets between Jingui Shenqi Wan and intervertebral disc degeneration,and the key targets including Serine/threonine-protein kinase-1(AKT1),Caspase 3,IL-1β,IL-6,TNF,etc.(3)Jingui Shenqi Wan treating intervertebral disc degeneration mainly involved biological processes of response to nutrient levels,response to extracellular stimulus,response to molecule of bacterial origin etc.,cellular components of membrane raft,cytoplasmic vesicle lumen,secretory granule lumen,etc.,molecular functions of oxidoreductase activity,organic acid binding,carboxylic acid binding,and pathways such as tuberculosis,chagas disease and HIF-1 signaling pathway.(4)Molecular docking showed that the binding ability of the core components to key targets was stable.Conclusion:The active components of Jingui Shenqi Wan such as stachyose,β-sitosterol,Alisol A are involved in the treatment of intervertebral disc degeneration through key targets such as AKT1,IL-6,IL-1β,TNF,and some signaling pathways,including tuberculosis signaling pathway,chagas disease signaling pathway,HIF-1 signaling pathway.
万方数据
维普
