| 摘要 |
[Objectives] To predict core targets and pathways of flavonoids from Scutellaria baicalensis against PD via network pharmacology. [Methods] Network pharmacology was employed to predict targets of six flavonoids (baicalein, baicalin, chrysin, wogonin, wogonoside, oroxylin A) from S. baicalensis. PD-related targets were screened from DrugBank, DisGeNET, GeneCards, and NCBI databases. Compound-target-disease networks and protein-protein interaction (PPI) networks were constructed. Functional enrichment analysis (GO/KEGG) was performed via Metascape. Molecular docking (Autodock Vina) validated ligand-target binding affinities. [Results] Intersection analysis identified 18 pivotal targets from 148 compound targets and 18 PD-associated targets. PPI network analysis revealed PTGS2, ESR1, TNF, and ABCB1 as core targets (degree >6). KEGG enrichment highlighted ovarian steroidogenesis (hsa04913) and ABC transporters. Molecular docking confirmed robust binding between flavonoids and PTGS2 (binding energy<-5 kcal/mol; baicalin: -13.2). [Conclusions] Flavonoids synergistically target PTGS2/ESR1-mediated prostaglandin synthesis and hormonal pathways. |
