Ligand-based Virtual Screening

Ligand-based virtual screening is a computer-driven approach used in drug discovery to identify potential new medicines. It analyzes known molecules, called ligands, that successfully interact with a target, such as a protein involved in disease. By comparing the features of these ligands—like shape and chemical properties—the method predicts other molecules that might bind effectively, even without knowing the exact structure of the target. This process helps scientists quickly narrow down promising candidates for experimental testing, saving time and resources in developing new therapies.