COMPUTER-AIDED DRUG DISCOVERY: FROM TARGET PROTEINS TO DRUG CANDIDATES

Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. The latest technological advances (QSAR/QSPR, structure-based design, combinatorial library design, cheminformatics & bioinformatics); the growing number of chemical and biological databases; and an explosion in currently available software tools are providing a much improved basis for the design of ligands and inhibitors with desired specificity.