Rowland R Scott
BioCryst Pharmaceuticals Inc, Crystallography Department, 2190 Parkway Lake Drive, Birmingham, AL 35244, USA.
Curr Opin Drug Discov Devel. 2002 Jul;5(4):613-9.
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.
在药物研发中使用晶体学最显著的好处之一是基于结构的药物设计（SBDD）循环的发展：结构、分析、合成、测试并回到结构。本综述涵盖了SBDD的近期实例，以说明这种设计循环是如何从其早期应用发展而来的。该循环的维度已经扩大，包括对与靶点相关结构的考虑、全局药物参数和结合亲和力的优化。其他技术，如组合化学和虚拟筛选，已被整合到设计循环中。此外，还开发了直接使用晶体的全新方法。
