Network Pharmacology and Molecular Docking Reveal the Multitarget Mechanism of Erythrina variegata Phytochemicals Against Polyendocrine Metabolic Ovarian Syndrome

ABSTRACT

Polyendocrine metabolic ovarian syndrome (PMOS) is a complex endocrine‐metabolic disorder characterized by reproductive dysfunction, insulin resistance, obesity, and an increased risk of diabetes. Given the multifactorial nature of PMOS and the limitations of therapies, plant‐derived multi‐target agents have attracted growing interest. This study employed a network pharmacology and molecular docking approach to investigate the molecular mechanisms of Erythrina variegata against PMOS. Disease‐associated genes were retrieved from GeneCards, OMIM, and STRING, while phytochemicals were obtained from the IMPPAT database and their targets predicted using SwissTargetPrediction, SuperPred, and STITCH. Protein–protein interaction, Gene Ontology, KEGG pathway enrichment, and molecular docking analyses were performed. Sixty‐three common disease‐associated genes and 35 overlapping targets linked to 72 drug‐like phytochemicals were identified. Enrichment analysis highlighted pathways related to insulin signaling, steroid hormone biosynthesis, lipid metabolism, and endocrine regulation. Molecular docking revealed interactions of Erythrinin C, cycloartenol, campesterol, and warangalone with key targets, including MMP2, CYP17A1, CYP19A1, HSD11B1, and AKT1. Comparative docking showed that several phytochemicals exhibited binding affinities comparable to those of FDA‐approved and experimental reference compounds. These findings provide a computational basis for the multitarget potential of E. variegata in PMOS and support molecular dynamics, in vitro, and in vivo studies to validate its relevance.