基于网络药理学及分子对接探讨舒脊方治疗腰椎间盘突出症作用机制OA

Objective To explore the mechanism of Shuji Prescription in the treatment of lumbar disc herniation(LDH)based on network pharmacology and molecular docking.Methods BATMAN-TCM database and Ben Cao Zu Jian 2.0 were used to obtain the active components and targets of Shuji Prescription;the GeneCards and OMIM databases were utilized to acquire the relevant targets of LDH.The intersection of the targets of the active components of Shuji Prescription and the relevant targets of LDH was determined using a Venn diagram.The drug-active component-target network was constructed with Cytoscape 3.8.2.The intersection targets were imported into the STRING database for network interaction analysis to build a protein-protein interaction(PPI)network.The CytoNCA plugin in Cytoscape was applied to screen the core targets.GO functional and KEGG pathway enrichment analyses were performed using R 4.4.2.The drug-pathway-target interaction network was established using Cytoscape 3.8.2.Molecular docking and visualization were carried out using AutoDock 1.5.7.Results A total of 282 active components of Shuji Prescription were obtained,with 1 422 action targets.The key active components included curcumin,quercetin,genistein,dioscin,ursolic acid,etc.There were 737 targets related to LDH,and the core targets were SRC,IL6,TNF,EGFR and IL1B.KEGG pathway enrichment analysis indicated that the treatment of LDH mainly involved the AGE-RAGE signaling pathway,the PI3K-Akt signaling pathway,the MAPK signaling pathway,etc.Molecular docking showed the binding force between the key active components and the target targets was relatively stable.Conclusion Shuji Prescription may participate in the AGE-RAGE,PI3K-Akt,and MAPK signaling pathways by regulating targets such as SRC,IL6,TNF,EGFR and IL1B,thereby playing a role in the treatment of LDH.