Network Pharmacology-Guided Identification of Kinase-Mediated Vascular Signalling Targets Underlying the Antihypertensive Potential of Brassica rapa L

Hypertension is a complex cardiometabolic disorder involving oxidative stress, endothelial dysfunction, inflammation, and neurohormonal imbalance, which increase vascular resistance and remodeling. Consequently, single target treatment frequently has low long-term efficacy. Brassica rapa L. (BRL) turnip, a medicinal and dietary crucifer rich in glucosinolates, flavonoids, phenolic acids, offers significant potential for blood pressure modulation. Through a comprehensive in-silico method that combines network pharmacology, molecular docking, molecular dynamics simulation, and ADMET guided screening, this study examines the multitarget antihypertensive potentiation of BRL. In the list of the 189 phytoconstituents identified through extensive database, 9 drug-like candidates were ultimately selected utilizing SwissADME profiling and Lipinski’s rule of 5. Predicted protein targets identified through SwissTargetPredication and the similarity ensemble approach were cross referenced with hypertension-associated genes from GeneCards and online mendelian inheritance in man, yielding 246 common targets. Protein-protein interaction analysis revealed a core module of 10 hub genes, such as EGFR, PIK3CA, FYN, PTK2, SRC, PTPN11, PIK3R1, CTNNB1, and AKT1 indicating a key role for kinase-driven vascular signaling. Functional enrichment analysis highlighted redox homeostasis, Vaso regulatory balance, and the PI3K-AKT and nitric/eNOS signaling pathways. AutoDock Vina docking identified quercetin (-11.4 kcal/mol), kaempferol and isorhamnetin (-11.2 kcal/mol), gluconasturtiin (-11.2 kcal/mol) as top ligands. Schrodinger molecular dynamics simulations over 100 ns confirmed the stability and energetically favorable nature of the protein-ligand interactions. Overall, BRL demonstrates strong multitarget antihypertensive potential, with prioritized lead molecules for further validation