Docking studies

Docking studies are a computational method used in drug design to predict how small molecules, like potential drugs, interact with target proteins or enzymes in the body. This involves simulating the "docking" process, where the molecule fits into the protein's active site, similar to a key fitting into a lock. By analyzing these interactions, researchers can assess the potential effectiveness of a drug, optimize its structure for better binding, and identify promising candidates for further development. This method helps streamline the drug discovery process, making it faster and more efficient.