基于 网 络 药 理 学 和 分 子 对 接 探 讨 当 归 芍 药 散 治疗原发性痛经的作用机制.

OBJECTIVE: To explore the multi-component, multi-target and multi-pathway mechanism of Danggui Shaoyao powder in the treatment of primary dysmenorrhea (PD). METHODS: The effective components, action targets and disease targets of Danggui Shaoyao powder were screened by searching the public databases, and the drug component target genes and disease target genes were obtained by R software. The protein-protein interaction (PPI) network of target proteins was constructed by STRING database. The network topology attribute analysis software Cytoscape 3. 8. 0 was used to construct the active component-target network diagram. Biological information annotation database (DAVID) was used for enrichment analysis of target gene ontology (GO) biological processes and metabolic pathways in Kyoto encyclopedia of genes and genomes (KEGG). The first few key targets with high degree of PPI network were selected for molecular docking with the corresponding active components. RESULTS: According to the network pharmacology results, kaempferol, beta-sitosterol, myricanone, stigmasterol, et al are the main effective components of Danggui Shaoyao Powder, which participated in the biological process of MAPK signaling pathway, Calcium signaling pathway, NF-κB signaling pathway, et al by regulating prostaglandin lead oxide synthase within 2 (PTGS2), estrogen receptor 1 ( ESR1 ), protein kinase B1 ( Akt1 ), aryl hydrocarbon receptor ( AHR) and progesterone receptor (PGR), and other key genes, so as to play a role in relieving dysmenorrhea. Molecular docking results showed that kaempferol interacted with PTGS2 and showed the stable state after binding. CONCLUSIONS: This study preliminarily clarified the main targets and pathways of Danggui Shaoyao powder in the treatment of PD, and provided a certain reference for subsequent in-depth research. [ABSTRACT FROM AUTHOR]