蛋白质结构比较模建的研究进展  

Current Development of Comparative Modeling of Drug Target Proteins

作　　者：胡健[1] 方慧生[1] 陈凯先[1] 

机构地区：[1]中国药科大学生命科学与技术学院,江苏南京210009

出　　处：《药物生物技术》2009年第4期380-384,共5页Pharmaceutical Biotechnology

摘　　要：比较模建也叫同源模建,其原理是蛋白质三级结构远比一级结构保守,因此即使蛋白质序列有明显差别,它们的功能仍然可能非常相似。由于实验方法得到目的蛋白的结构困难较多而且需要较长时间,比较模建可构建实验需要的结构模型用于提出关于一种蛋白质功能的假设并指导进一步的实验工作。比较模建一般分为四步,构建产生的结构模型常用于蛋白质与蛋白质相互作用预测,蛋白质之间的对接,分子对接以及有机体基因组中已鉴定基因的功能注解。Comparative modeling, also known as homology modeling of protein,is based on the observation that protein tertiary structure is better conserved than that of amino acid sequence. Thus, even proteins that have diverged appreciably in sequence but still share detectable similarity will also share common structural properties, Since it is difficult and time consuming to obtain experimental structures from experimental methods for every protein of interest, comparative modeling can provide useful structural models for generating hypotheses about a protein＇s function and directing further experimental work. The comparative modeling procedure can be broken down into four sequential steps. Uses of the structural models include protein protein interaction prediction, protein-protein docking, molecular docking, and functional annotation of genes identified in an organism＇s genome.

关 键 词：比较模建 环结构模建 侧链模建 虚拟筛选 

分 类 号：Q51[生物学—生物化学]