摘要
先导化物的发现是新药研发流程中首要环节。基于靶点结构的药物设计在先导化物的发现过程中具有十分重要的作用和地位。在靶点三维结构缺乏的情况下,用计算机模拟的方法来预测是获得其结构的一条重要渠道。同源建模是应用最为广泛的蛋白质三维结构模拟方法,而蛋白质序列比对是同源建模中的关键一环。对蛋白质的序列比对、比对结果评价、比对结果优化等内容进行论述,并对相关方面的最新进展作介绍。
The identification of lead compounds is an important aspect in the development of drug discovery and structure-based drug design plays a vital role in the discovery of lead compounds. However, the rate of experimental determination for 3D structures of protein lags far behind that of testing amino acid sequence of protein. Consequently, the 3D structures of many important therapeutic targets have to be built theoretically so as to conduct structure-based drug design. Sequence-structure alignment is a quite important aspect in the pipeline of homology modeling which is one of the most widely used approaches to predict the 3D structure of protein. The methods and recent progress for aligning sequence-structure, evaluating the quality of the alignment and improving the alignment are the focus of this review.
出处
《成都电子机械高等专科学校学报》
2012年第4期1-5,共5页
Journal of Chengdu Electromechanical College
基金
国家"十二五"计划资助项目(批准号:2012ZX09103-101-017)
关键词
序列比对
元数据方法
同源建模
Sequence-structure Alignment
meta approaches
homology
