Zhou Joe Zhongxiang
Department of Structural and Computational Biology, Pfizer Global Research & Development, La Jolla Laboratories, San Diego, CA 92121, USA.
Curr Opin Chem Biol. 2008 Jun;12(3):379-85. doi: 10.1016/j.cbpa.2008.02.007. Epub 2008 Mar 20.
In recent years pharmaceutical companies have utilized structure-based drug design and combinatorial library design techniques to speed up their drug discovery efforts. Both approaches are routinely used in the lead discovery and lead optimization stages of the drug discovery process. Fragment-based drug design, a new power tool in the drug design toolbox, is also gaining acceptance across the pharmaceutical industry. This review will focus on the interplay between these three design techniques and recent developments in computational methodologies that enhance their integration. Examples of successful synergistic applications of these three techniques will be highlighted. Opinion regarding possible future directions of the field will be given.
近年来，制药公司利用基于结构的药物设计和组合文库设计技术来加速其药物研发工作。这两种方法在药物研发过程的先导化合物发现和先导化合物优化阶段都有常规应用。基于片段的药物设计作为药物设计工具箱中的一种新的有力工具，也正在整个制药行业获得认可。本综述将聚焦于这三种设计技术之间的相互作用以及增强它们整合的计算方法的最新进展。将突出这三种技术成功协同应用的实例。还将给出关于该领域未来可能发展方向的观点。
