ABSTRACT
In recent decades, there has been an increasing use of computational techniques in drug discovery and development process, with the trend gaining in popularity, implementation, and appreciation. Advances in software and hardware, sophistication, identification of molecular targets, and an increasing database of publicly available target protein structures have led to the popularity of computer-aided drug designing (CADD). The CADD tools identify lead drug molecules, can predict effectiveness and possible side effects, and also aid in the improvement in bioavailability of possible drug molecules. Target selection, ligand identification and screening, interaction of molecules in three-dimensional space, binding mode identification and selection, and energy calculation are now easier, after using computers in the drug designing and development process.
