Virtual screening and drug repurposing are two interconnected strategies in the field of molecular docking that leverage computational methods to expedite the drug discovery process. These approaches are particularly valuable for identifying new therapeutic applications for existing drugs or compounds, thereby reducing the time and cost associated with traditional drug development. Virtual screening (VS) is a computational technique used to evaluate a large library of compounds against a biological target to identify those most likely to bind to and modulate the target's activity. It can be broadly categorized into ligand-based and structure-based (receptor-based) virtual screening. Ligand-Based Virtual Screening (LBVS) relies on the knowledge of known active ligands to search for new compounds with similar chemical properties or structural features . Structure-Based Virtual Screening (SBVS) requires the three-dimensional structure of the target receptor. Molecular docking is a key component of SBVS, where compounds are computationally "docked" into the binding site of the target protein to predict their binding mode and affinity . Virtual screening has become increasingly important with the advancement of technologies for protein structural science, including cryo-electron microscopy and X-ray crystallography, making receptor-based virtual screening a crucial step in lead compound discovery .