GPCR的计算机模拟研究

Structure modeling of GPCR using computer

G蛋白偶联受体(GPCR)是一类重要的药物靶标,它的三维结构的研究对于药物及其先导物的发现起着至关重要的作用。由于实验条件的限制,目前关于GPCR三维结构的报道十分有限,用计算机进行结构建模是研究其必不可少的手段。近年来,许多科研人员致力于用计算机技术模建合理的GPCR结构模型。本文就GPCR的结构模建中涉及的实验技术、结构模建的具体步骤以及在药物设计中的应用等方面做了一些介绍。

G protein-coupled receptors （GPCR） are important drug targets which are always the focus point in the field of biology and medicine. Thus, the research of GPCR plays a key role in the development of new drugs and lead compounds. At present, due to experimental conditions limit, there are few reports about the three-dimensional structures of GPCR, so the modeling of their three-dimensional structures comes into a key point. In recent years, many researchers have made an effort to model reasonable structure of GPCR by using computational methods. In this paper, a summary is given about the experimen- tal techniques involved in modeling structure of GPCR, the steps of homology modeling, and their applications in drug design.