Bioinformatics Centre, Indian Institute of Science, Bangalore.
Interdiscip Sci. 2010 Dec;2(4):347-66. doi: 10.1007/s12539-010-0045-6. Epub 2010 Dec 12.
Structural bioinformatics can be described as an approach that will help decipher biological insights from protein structures. As an important component of structural biology, this area promises to provide a high resolution understanding of biology by assisting comprehension and interpretation of a large amount of structural data. Biological function of protein molecules can be inferred from their three-dimensional structures by comparing structures, classifying them and transferring function from a related protein or family. It is well known now that the structure space of protein molecules is more conserved than the sequence space, making it important to seek functional associations at the structural level. An added advantage of structural bioinformatics over simpler sequence-based methods is that the former also provides ultimate insights into the mechanisms by which various biological events take place. A bird's eye-view of the different aspects of structural bioinformatics is given here along with various recent advances in the area including how knowledge obtained from structural bioinformatics can be applied in drug discovery.
结构生物信息学可以被描述为一种方法,它将有助于从蛋白质结构中破译生物学见解。作为结构生物学的一个重要组成部分,该领域有望通过协助理解和解释大量的结构数据,提供对生物学的高分辨率理解。通过比较结构、对其进行分类,并从相关蛋白质或家族中转移功能,可以从蛋白质分子的三维结构中推断出它们的生物功能。现在人们已经知道,蛋白质分子的结构空间比序列空间更保守,因此在结构水平上寻找功能关联非常重要。结构生物信息学相对于更简单的基于序列的方法的一个优势是,前者还可以深入了解各种生物事件发生的机制。本文概述了结构生物信息学的不同方面,以及该领域的各种最新进展,包括如何将结构生物信息学获得的知识应用于药物发现。