This project report involves the study of evaluation of bioactive compounds extracted from Tribulus terrestris and their potential impact on kidney stones. The study encompassed Soxhlet extraction using methanol as a solvent to obtain the plant extract, subsequent phytochemical analysis, and assessment of antioxidant properties through DPPH assay radical scavenging. GCMS analysis identified and characterized compounds within the extract, while molecular docking techniques elucidated interactions between the identified compounds and key components in kidney stone formation. Phytol was identified to be the most suitable compound among the compounds characterized. Molecular dynamics simulations explored the dynamic behaviour of the compounds, including the protein-ligand complex involving Chain A of 2RDU protein and the ligand UNL. The results offer valuable insights into the therapeutic potential of specific compounds from Tribulus terrestris in addressing kidney stones