LI Min, GUO Miao, CHEN Ping, et al. Mechanism of Danggui Shaoyao Powder in the Treatment of Primary Dysmenorrhea Based on the Network Pharmacology and Molecular Docking[J]. 2022,22(9):1050-1053.
LI Min, GUO Miao, CHEN Ping, et al. Mechanism of Danggui Shaoyao Powder in the Treatment of Primary Dysmenorrhea Based on the Network Pharmacology and Molecular Docking[J]. 2022,22(9):1050-1053. DOI: 10.14009/j.issn.1672-2124.2022.09.006.
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.