A类G蛋白偶联受体:结构、功能、计算机辅助药物设计及分子动力学模拟

发布时间：2018-03-05 12:31

本文选题：G蛋白偶联受体　切入点：分子动力学模拟　出处：《北京工业大学学报》2017年12期 　论文类型：期刊论文

【摘要】：G蛋白偶联受体(G protein coupled receptors,GPCR)是目前研究最广泛的药物靶标蛋白.超过30%的已上市药物以GPCR为靶点.这一重要的跨膜蛋白家族及其分子结构和功能一直是各大制药公司和学术界的研究热点.近年来,GPCR X射线衍射晶体学方面取得了重大突破,已有30多个A类GPCR的高分辨率结构得到了解析.这为基于结构的药物设计和GPCR功能研究提供了结构依据,以及新的药物靶点和药物设计策略.利用这些结构,计算机模拟方法也在GPCR的结构和功能研究中得到了广泛应用,并在过去几年中取得了一些突破性的成果.这些研究进展深化了对GPCR的动态结构、配体识别和激活机制等方面的理解.简要回顾近年来对A类GPCR的结构和功能研究方面的最新进展,并特别对计算机辅助药物设计和分子模拟在这方面的应用进行重点讨论.
[Abstract]:G protein coupled receptor G protein coupled receptor (GPCR) is the most widely studied drug target protein. More than 30% of the drugs on the market target GPCR. This important transmembrane protein family and its molecular structure and function have been the major pharmaceutical males. In recent years, great breakthroughs have been made in the crystallography of GPCR X-ray diffraction. More than 30 high-resolution structures of Class A GPCR have been analyzed, which provides a structural basis for structure-based drug design and GPCR functional research, as well as new drug targets and drug design strategies. Computer simulation methods have also been widely used in the study of the structure and function of GPCR, and some breakthrough results have been achieved in the past few years. These advances have deepened the dynamic structure of GPCR. Understanding of ligand recognition and activation mechanism. Recent advances in structural and functional studies of class A GPCR are briefly reviewed, and the applications of computer-aided drug design and molecular simulation in this field are discussed in particular.
【作者单位】：尼斯-索菲亚-昂蒂波利斯大学化学学院;北京工业大学生命科学与生物工程学院;
【基金】：科技部国际科技合作专项(2010DFA1710)
【分类号】：R91

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