Bioactive Efficacy of Identified Phytochemicals Solasodine, Lupeol and Quercetin from Solanum xanthocarpum against the RgpB Protein of Porphyromonas gingivalis—A Molecular Docking and Simulation Analysis

Periodontal diseases are highly prevalent oral conditions associated with severe complications in the cavity. These inflammatory caused by microbiome and influenced several factors, such as aging, tobacco usage, systemic illness inadequate hygiene. Plant-derived phytochemicals extensively utilized managing various periodontal due to presence of antioxidant, anti-inflammatory antibacterial activities. Plant materials have shifted attention from conventional medicine indigenous medicine. Solanum xanthocarpum is a medicinal herb found India. It exhibits pharmacological properties essential for disease prevention management. The current work analyzes S. aqueous extract. extracts’ anti-microbial were ascertained DPPH assay, HRBC membrane stabilization assay disk diffusion respectively. xanthocarpum’s active phytochemical components detected using gas chromatography–mass spectrometry (GC-MS) estimation. Furthermore, molecular docking simulation analysis conducted determine interaction between phytocompounds RgpB protein Porphyromonas gingivalis. Phytocompounds possessing anti-microbial, antioxidant through GC-MS revealed inhibitory mechanisms Solasodine, Lupeol Quercetin against arginine-specific gingipain protein. Insilico that had highest binding energy −263.879 Kcal/mol among studied, followed Solasodine −102.457 33.6821 Kcal/mol. study has significant potential an herbal remedy preventing treating diseases. This may facilitate drug development future.