The three-dimensional structure of the alpha-synuclein fibril protein was obtained from the Protein Data Bank . A virtual screening list of over 3450 compounds was created following a Ligand search on the Zinc20 Database. This portion of the protein is exposed to bind inhibitors since it faces the periplasm. The five most qualified individuals were chosen for additional assessment using the auto dock scoring system. GrASP web server was used to get the ligands binding site of the fibril. Subsequently, P2Rank was employed, a machine learning-driven instrument intended for forecasting contact locations on protein structures . It can be used as a Java library or as a standalone command-line application, giving it great versatility for a range of computational biology applications. PDBSUM web server was used to analyze the secondary structure of the fibril. This includes beta sheets, which are depicted with specific annotations regarding their arrangement and interactions.