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1
Adenosine A Receptor and Ligand Molecular Modeling.腺苷A受体与配体分子建模
Drug Dev Res. 1993 Mar;28(3):237-243. doi: 10.1002/ddr.430280309.
2
Identification of A1 and A2 adenosine receptors in the rat spinal cord.大鼠脊髓中A1和A2腺苷受体的鉴定。
J Pharmacol Exp Ther. 1987 Sep;242(3):905-10.
3
Relative binding orientations of adenosine A1 receptor ligands--a test case for Distributed Multipole Analysis in medicinal chemistry.腺苷A1受体配体的相对结合取向——药物化学中分布式多极分析的一个测试案例。
J Comput Aided Mol Des. 1995 Feb;9(1):44-54. doi: 10.1007/BF00117277.
4
A1 adenosine receptors. Two amino acids are responsible for species differences in ligand recognition.A1腺苷受体。两种氨基酸导致了配体识别的物种差异。
J Biol Chem. 1994 Nov 11;269(45):27900-6.
5
Demonstration of both A1 and A2 adenosine receptors in DDT1 MF-2 smooth muscle cells.DDT1 MF-2平滑肌细胞中A1和A2腺苷受体的证实。
Mol Pharmacol. 1990 Feb;37(2):149-56.
6
A binding site model and structure-activity relationships for the rat A3 adenosine receptor.大鼠A3腺苷受体的结合位点模型及构效关系
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7
Characterization of a low affinity binding site for N6-substituted adenosine derivatives in rat testis membranes.大鼠睾丸膜中N6-取代腺苷衍生物低亲和力结合位点的特性研究。
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Chemical modification of A1 adenosine receptors in rat brain membranes. Evidence for histidine in different domains of the ligand binding site.大鼠脑膜中A1腺苷受体的化学修饰。配体结合位点不同结构域中组氨酸的证据。
J Biol Chem. 1988 Nov 25;263(33):17522-6.
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Identification of the adenine binding site of the human A1 adenosine receptor.人A1腺苷受体腺嘌呤结合位点的鉴定。
J Biol Chem. 1999 Feb 5;274(6):3617-21. doi: 10.1074/jbc.274.6.3617.
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Characterization of adenosine A1 receptors in intact DDT1 MF-2 smooth muscle cells.完整DDT1 MF-2平滑肌细胞中腺苷A1受体的特性研究
Mol Pharmacol. 1990 Nov;38(5):660-6.

引用本文的文献

1
Evaluation of homology modeling of G-protein-coupled receptors in light of the A(2A) adenosine receptor crystallographic structure.基于A(2A)腺苷受体晶体结构对G蛋白偶联受体同源建模的评估。
J Med Chem. 2009 May 28;52(10):3284-92. doi: 10.1021/jm801533x.
2
A binding site model and structure-activity relationships for the rat A3 adenosine receptor.大鼠A3腺苷受体的结合位点模型及构效关系
Mol Pharmacol. 1994 Jun;45(6):1101-11.
3
Nomenclature and classification of purinoceptors.嘌呤受体的命名与分类
Pharmacol Rev. 1994 Jun;46(2):143-56.
4
Role of the second extracellular loop of adenosine receptors in agonist and antagonist binding. Analysis of chimeric A1/A3 adenosine receptors.腺苷受体第二个细胞外环在激动剂和拮抗剂结合中的作用。嵌合A1/A3腺苷受体的分析。
J Biol Chem. 1994 Oct 7;269(40):24692-8.

本文引用的文献

1
Adenosine receptor binding: structure-activity analysis generates extremely potent xanthine antagonists.腺苷受体结合：构效分析产生了极具效力的黄嘌呤拮抗剂。
Proc Natl Acad Sci U S A. 1983 Apr;80(7):2077-80. doi: 10.1073/pnas.80.7.2077.
2
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules.一种用于确定生物学上重要大分子上能量有利结合位点的计算程序。
J Med Chem. 1985 Jul;28(7):849-57. doi: 10.1021/jm00145a002.
3
Chemical modification of A1 adenosine receptors in rat brain membranes. Evidence for histidine in different domains of the ligand binding site.大鼠脑膜中A1腺苷受体的化学修饰。配体结合位点不同结构域中组氨酸的证据。
J Biol Chem. 1988 Nov 25;263(33):17522-6.
4
A functionalized congener approach to adenosine receptor antagonists: amino acid conjugates of 1,3-dipropylxanthine.一种用于腺苷受体拮抗剂的官能化同系物方法：1,3 - 二丙基黄嘌呤的氨基酸缀合物
Mol Pharmacol. 1986 Feb;29(2):126-33.
5
Mapping the N6-region of the adenosine A1 receptor with computer graphics.用计算机图形学绘制腺苷A1受体的N6区域
Eur J Pharmacol. 1989 Mar 7;172(1):19-27. doi: 10.1016/0922-4106(89)90041-2.
6
Selective amplification and cloning of four new members of the G protein-coupled receptor family.G蛋白偶联受体家族四个新成员的选择性扩增与克隆
Science. 1989 May 5;244(4904):569-72. doi: 10.1126/science.2541503.
7
Model for the structure of bacteriorhodopsin based on high-resolution electron cryo-microscopy.基于高分辨率电子冷冻显微镜的细菌视紫红质结构模型。
J Mol Biol. 1990 Jun 20;213(4):899-929. doi: 10.1016/S0022-2836(05)80271-2.
8
A model for the antagonist binding site on the adenosine A1 receptor, based on steric, electrostatic, and hydrophobic properties.基于空间、静电和疏水性质的腺苷A1受体拮抗剂结合位点模型。
J Med Chem. 1990 Jun;33(6):1708-13. doi: 10.1021/jm00168a027.
9
A novel synthesis of xanthines: support for a new binding mode for xanthines with respect to adenosine at adenosine receptors.黄嘌呤的一种新型合成方法：支持黄嘌呤在腺苷受体处与腺苷形成新的结合模式。
J Med Chem. 1990 Dec;33(12):3127-30. doi: 10.1021/jm00174a004.
10
1H-imidazo[4,5-c]quinolin-4-amines: novel non-xanthine adenosine antagonists.
J Med Chem. 1991 Mar;34(3):1202-6. doi: 10.1021/jm00107a046.

腺苷A受体与配体分子建模

Adenosine A Receptor and Ligand Molecular Modeling.

作者信息

Dudley Mark W, Peet Norton P, Demeter David A, Weintraub Herschel J R, Ijzerman Ad P, Nordvall Gunnar, van Galen Philip J M, Jacobson Kenneth A

机构信息

Marion Merrell Dow Research Institute, Cincinnati, Ohio.

Center for Bio-Pharmaceutical Sciences, Leiden, The Netherlands.

出版信息

Drug Dev Res. 1993 Mar;28(3):237-243. doi: 10.1002/ddr.430280309.

DOI:10.1002/ddr.430280309
PMID:38239889
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10794910/
Abstract

This symposium provided a forum for presentations by the relevant groups on ligand design and ligand binding on the adenosine A, receptor. Agreement appears to exist that the "N-C" model of ligand binding to the receptor is the preferred mode. A consensus has not yet been reached on the actual placement of the ligand in the receptor and the exact amino acids which interact in its binding. Two viable models exist at present. Both can be tested with selective site-directed mutagenic studies on the A receptor as well as with additional designed ligands.

摘要

本次研讨会为相关团队提供了一个论坛，用于展示关于腺苷A受体上配体设计和配体结合的研究。似乎大家都认同“N-C”配体与受体结合模型是首选模式。然而，对于配体在受体中的实际位置以及其结合过程中相互作用的具体氨基酸，尚未达成共识。目前存在两种可行的模型。这两种模型都可以通过对A受体进行选择性定点诱变研究以及使用额外设计的配体来进行验证。