Saxena A K, Alam I, Dixit A, Saxena M
Division of Medicinal and Process Chemistry, Central Drug Research Institute Chattar Manzil Palace, Lucknow, India.
SAR QSAR Environ Res. 2008 Jan-Mar;19(1-2):11-25. doi: 10.1080/10629360701844126.
G-Protein coupled receptors (GPCRs), one of the most important families of drug targets, belong to the super family of integral membrane proteins characterized by seven transmembrane helices. Because they are difficult to crystallize, the three dimensional structure of these receptors have not yet been determined by X-ray crystallography, except one. In the absence of a 3-D structure, in-silico approaches for solving the structure of this class of proteins are widely used and provide valuable information for structure based drug design. There are several web servers and computer programs available that automate the modelling process of GPCRs. Some of these include Modeller, Swiss-Model server, Homer, etc. Using these tools reliable homology models of human histamine H1 receptor (HRH1) and thrombin receptor (PAR-1) have been generated which explain the binding mode of the standard antagonists of these receptors and may be useful in designing their novel antagonists.
G蛋白偶联受体（GPCRs）是最重要的药物靶点家族之一，属于以七个跨膜螺旋为特征的整合膜蛋白超家族。由于它们难以结晶，除了一种受体外，这些受体的三维结构尚未通过X射线晶体学确定。在缺乏三维结构的情况下，用于解决这类蛋白质结构的计算机模拟方法被广泛使用，并为基于结构的药物设计提供了有价值的信息。有几个网络服务器和计算机程序可用于自动进行GPCRs的建模过程。其中一些包括Modeller、Swiss-Model服务器、Homer等。使用这些工具已经生成了人组胺H1受体（HRH1）和凝血酶受体（PAR-1）可靠的同源模型，这些模型解释了这些受体标准拮抗剂的结合模式，可能有助于设计它们的新型拮抗剂。
