Molecular Docking Analysis of Bioactive Compounds from Processed Plumbago zeylanica roots targeting Inflammatory Pathways in arthritis

Rheumatoid arthritis (RA) is a chronic inflammatory disease that is characterized by joint inflammation and cartilage degradation, necessitating safer and effective therapeutic agents. P. zeylanica , a medicinal plant used in traditional Ayurvedic medicine, exhibits promising anti-arthritic properties already highlightedin our previous studies. This study employed an integrated in-sillico approach combining network pharmacology and molecular docking to elucidate the probable anti-inflammatory mechanisms underlying the anti-arthritic effects of P. zeylanica. Key biological processes identified include responses to oxygen-containing compounds, organic and chemical stimuli, and pathways associated with cancer, PI3K/AKT signaling, lipid metabolism, microRNAs in cancer, calcium signaling, and fluid shear stress in atherosclerosis. Protein-protein interaction network analysis highlighted pivotal targets such as mTOR, PIK3CA, AKT1, MAPK1, JAK2, and MMP9. Molecular docking revealed strong binding affinities of major phytoconstituents like lumbagic acid, zeylenone. lupeol and others with these targets, demonstrating favorable physicochemical properties and stable interactions. These findings suggest that P. zeylanica modulates multiple inflammatory and signaling pathways relevant to arthritis pathogenesis. However, as this study is computational, experimental validation through in-vitro , in-vivo studies is essential to confirm these mechanisms and support future therapeutic development. This work provides a systematic biological framework for understanding the multi-target anti-arthritic potential of P. zeylanica and guides further experimental exploration.