基于网络药理学与分子对接探究补中益气汤治疗骶神经功能障碍综合征的作用机制OA

Objective To study the mechanism of Buzhong Yiqi decoction in the treatment of sacral nerve dysfunction syndrome(SNDS)based on network pharmacology and molecular docking.Methods The active components of Buzhong Yiqi decoction and the common targets for the treatment of SNDS were obtained from TCMSP,GeneCards and other databases.GO functional enrichment analysis and KEGG pathway analysis were performed on the common targets of the two.A protein-protein interaction(PPI)network was constructed on the STRING platform,and Cytoscape 3.7.2 software was used to identify its main functional subclusters and core targets.The drug-component-target-disease interaction network was constructed by Cytoscape software to screen key components.Molecular docking technology was used to verify the selected core targets and key components.Results A total of 1020 targets of Buzhong Yiqi decoction and 1440 targets of SNDS-related diseases were screened,and 123 intersection targets were obtained by Venn diagram.After constructing the PPI network,four main functional sub-clusters were identified.GO enrichment analysis showed that the intersection targets involved a total of 445 biological processes,84 cell compositions and 129 molecular functions.KEGG enrichment analysis showed that the core targets involved 142 pathways.The drug-component-target-disease network showed that Buzhong Yiqi decoction contained 113 active components related to the treatment of SNDS.Molecular docking verification showed that the binding energies of core targets such as ERBB2,HSP90 AA1 and mTOR with key components such as glabridin and isopsoralen flavonoids were all<-5 kcal/mol,showing good binding ability.Conclusion The active components such as glabridin and isopsoralen in Buzhong Yiqi decoction may play a role in the treatment of SNDS by regulating the expression of key genes such as ERBB2,HSP90 AA1 and mTOR and important signaling pathways such as NF-κβ.