Network pharmacology and structure-based analysis of Baicalein, berberine, and rosmarinic acid as multi-gene modulators of neuroinflammation and apoptosis in syringomyelia

Genetic and molecular studies implicate multiple signaling pathways and protein targets, yet current therapies remain inadequate. To identify phytochemical candidates capable of modulating key genetic and protein targets implicated in syringomyelia using an integrative network pharmacology and molecular modeling strategy.

Network pharmacology analysis identified five hub proteins—MMP9, CASP3, TNF, PPARG, and ESR1—associated with syringomyelia pathophysiology. Baicalein, berberine, and rosmarinic acid were selected based on reported anti-inflammatory, neuroprotective, antioxidant, and anti-apoptotic effects. Molecular docking, molecular dynamics simulations, MM/GBSA binding free energy estimations, and interaction profiling were employed to assess multi-target binding potential and stability.