The process of structure-based drug design.
The field of structure-based drug design is a rapidly growing area in which many successes have occurred in recent years. The explosion of genomic, proteomic, and structural information has provided hundreds of new targets and opportunities for future drug lead discovery. This review summarizes the process of structure-based drug design and includes, primarily, the choice of a target, the evaluation of a structure of that target, the pivotal questions to consider in choosing a method for drug lead discovery, and evaluation of the drug leads. Key principles in the field of structure-based drug design will be illustrated through a case study that explores drug design for AmpC beta-lactamase.
Anderson
Amy C
AC
Dartmouth College, Department of Chemistry, Burke Laboratories, Hanover, NH 03755, USA. amy.c.anderson@dartmouth.edu
D000465:Algorithms; D001426:Bacterial Proteins / Q000737:chemistry; D015195:Drug Design; D008958:Models, Molecular; D013329:Structure-Activity Relationship; D001618:beta-Lactamases / Q000737:chemistry
D001426:Bacterial Proteins; C048795:AmpC beta-lactamases; D001618:beta-Lactamases