基于网络药理学和分子对接技术探讨乌药治疗原发性痛经的作用机制OA

Objective To investigate the function mechanism of Wuyao in the treatment of primary dysmenorrhea based on network pharmacology combined with molecular docking technology.Methods The components and drug targets of Wuyao were obtained by searching the database,and the disease targets were screened in GeneCards and DrugBank databases,and the drugs and disease targets were taken as common targets.Protein-protein interaction(PPI)analysis was carried out by importing the common target into the STRING website,and the core target was analyzed by the software Cytoscape 3.7.1.Metascape website carried out gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)enrichment analysis,and constructed a network diagram according to the relationship of"drug-component-target-pathway-disease".AutoDock Vina 1.2.5 software was used for molecular docking to verify the binding activity of related components with core targets.Results 8 kinds of Wuyao active components and 55 common targets were screened,including MAPK1,AKT1,MYC,HIF1A,TP53 and other key targets.The biological process of GO involved the reaction to oxygen,the reaction to hormone,etc.KEGG pathway mainly involved estrogen signaling pathway,PI3K-Akt signaling pathway,HIF-1 signaling pathway,etc.8 components of molecular docking had relatively good binding activity with 10 core targets.Conclusion Wuyao can improve primary dysmenorrhea through multi-components,multi-targets and multi-channel.