Study on the Mechanism of Rehmanniae Radix Praeparata- Angelicae Sinensis Radix on Male Infertility Based on Network Pharmacology and Molecular Docking Technology
Abstract:Objective:To explore the mechanism of Rehmanniae Radix Praeparata-Angelicae Sinensis Radix in the treatment of male infertility by using network pharmacology and molecular docking technology. Methods: The active components and corresponding targets of Rehmanniae Radix Praeparata- Angelicae Sinensis Radix were screened by searching the TCMSP database and literature, and the male infertility target was collected by using GeneCards, the human Mendelian genetic database (OMIM) and the DisGeNET database, and the drug- disease target was obtained by Venny 2.1.0. Then, the regulatory network of "drug pairs-active component targets" was constructed by using Cytoscape 3.9.0 software and topology analysis was carried out. Then STRING database was used for protein- protein interaction (PPI) analysis to screen core targets. Then the DAVID database is used to enrich and analyze the gene ontology (GO) and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways of the co-acting targets,and a "component-targets-key pathways" network diagram is constructed. Finally,AutoDock software was used to verify the binding ability of active components to core targets through molecular docking. Results : There were 6 active components and 57 related targets in the drug pair of Rehmanniae Radix Praeparata- Angelicae Sinensis Radix,and 19 cross targets with 1 361 targets of male infertility. These targets involve biological processes such as protein binding, protein dimer activity, enzyme binding, cell aging and apoptosis,and play a therapeutic role in cancer pathway,Apoptosis pathway,Hepatitis B pathway,TNF signal pathway, etc. Molecular docking verified that each active component and its corresponding target have good docking activity. Conclusion:The drug pair of Rehmanniae Radix Praeparata-Angelicae Sinensis Radix may play a therapeutic role in male infertility from the aspects of regulation of proteoglycan signal pathway,inhibition of inflammation,neuroregulation,inhibition of cell aging and apoptosis.