Mechanism of Sparganii Rhizoma-Curcumae Rhizoma herbal pair in anti-ovarian cancer:insights from network pharmacology and molecular docking
Objective To explore the effective active ingredients and molecular biological mechanism un-derlying the therapeutic effect of the Sparganii Rhizoma-Curcumae Rhizoma herbal pair in ovarian cancer treat-ment.Methods The active constituents and their corresponding targets of Sparganii Rhizoma-Curcumae Rhi-zoma were retrieved from the HERB and PubChem databases.Therapeutic Targets,OMIM,GeneCard and other databases were used to search the disease targets of ovarian cancer.Cytoscape 3.9.0 software was used to draw drug-ingredient-target network diagrams,STRING database and Cytoscape 3.9.0 were used to build PPI network diagram,and then MCODE plug-in in Cytoscape was used to screen out the top 10 core targets.GO and KEGG pathway enrichment analyses were performed for the targets using R 4.2.2.Finally,molecular doc-king with software such as Auto Dock Vina was conducted to validate the interaction between core components and core targets.Results A total of 72 active components and 760 targets were screened.Six hundred and seventeen common target genes were identified between Sparganii Rhizoma-Curcumae Rhizoma and ovarian cancer.The core components included dihydrohelenalin,gaillardinactone,brevicornin britanin and kaempferol.The PPI network revealed key targets,including MAPK1,MAPK3,JAK1,JAK3,STAT3,MAP2K1,IL6,TYK2,KRAS and SRC.KEGG enrichment analysis showed a total of 186 pathways involved,and 30 path-ways closely associated with ovarian cancer were extracted according to P＜0.05,mainly including cAMP sig-naling pathway,proteoglycan pathway in cancer,and PI3K-AKT signaling pathway.The molecular docking results showed that the active ingredients showed good binding affinity with the core targets.Conclusion The Sparganii Rhizoma-Curcumae Rhizoma herbal pair exhibits the characteristics of multi-component,multi-target and multi-pathway in the comprehensive treatment of ovarian cancer,providing valuable insights for its clinical application.
万方数据
维普
