Prediction and Validation of Multi-Target Mechanisms of Scutellaria baicalensis in Treating Primary Dysmenorrhea Based on Network Pharmacology and Molecular Docking Xinguo LIUA.

[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, orox-ylin 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, ESRj, TNF, and AB-CBj as coretargets (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/ESRj-mediated prostaglandin synthesis and hormonal pathways. [ABSTRACT FROM AUTHOR]