Integrated In Vitro and In Silico Assessment of Phytoconstituents and Bioactivities of Ruellia patula Leaves

Ruellia patula leaf extracts were analyzed for phytochemical composition and therapeutic activity using combined in vitro and in silico methods. FTIR and GC-MS identified abundant flavonoids, polyphenols, terpenoids, and steroids. The ethanolic extract exhibited potent antioxidant effects, with IC₅₀ values of 48.79 µg/mL (DPPH) and 58.53 µg/mL (H₂O₂), and showed notable anti-inflammatory activity in protein denaturation and membrane stabilization assays. Significant cytotoxicity (72.07% yeast cell inhibition) and antimitotic activity (mitotic index reduced to 37.43%; root growth inhibition up to 85.62% at 1000 µg/mL) were observed. The plant extract exhibited pronounced antibacterial effects, especially against S. aureus. Docking studies of key compounds, stigmasterol and benzo[h]quinoline derivatives, revealed strong binding affinities to targets including myeloperoxidase, cyclooxygenase-1, tubulin, and penicillin-binding protein 2a. These findings validate the traditional uses of R. patula and highlight its promise as a source of multifunctional therapeutic agents.