Using X-ray crystallography in drug discovery.

One of the most dramatic benefits of using crystallography in drug discovery has been the development of the structure-based drug design (SBDD) cycle: structure, analysis, synthesis, testing and back to structure. This review covers recent examples of SBDD to illustrate how this design cycle has evolved from its early implementation. The dimension of the cycle has increased to include the consideration of structures related to the target, optimization of global drug parameters and binding affinity. Other technologies, such as combinatorial chemistry and virtual screening, have been integrated into the design cycle. In addition, novel new ways of directly using the crystal have been developed.