Hit identification is a crucial step in drug discovery that involves the identification of small molecules or compounds that have the potential to interact with a specific target protein. This process typically involves virtual screening in the form of mega- or giga-docking of large chemical libraries to identify hits that exhibit activity against the target. The hits identified in this process are then further optimized through medicinal chemistry to improve their potency, selectivity, and pharmacokinetic properties. The ultimate goal of hit identification is to identify a lead compound that can be further developed into a drug candidate for clinical trials. The success of hit identification is critical for the development of new therapies for various diseases, including cancer, infectious diseases, and neurological disorders.