pharmacophore modeling

Pharmacophore modeling is a method used in drug design to identify the essential features of molecules that enable them to interact with specific biological targets, like proteins or enzymes. It focuses on the spatial arrangement of atoms or functional groups that are crucial for a molecule's biological activity. By creating a 3D model of these key features, scientists can screen potential new drugs, optimize existing compounds, and predict how different molecules may behave in the body. This approach helps streamline the discovery of effective therapies with fewer side effects.