A theoretical model for the histamine H2-receptor.

Drug design and delivery Pub Date : 1991-01-01
R D Enriz, E A Jauregui
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引用次数: 0

Abstract

We describe an electronic and conformational study of histamine H2-receptor ligands of the imidazole series, in which the possibilities of configurational isomerism (the thiourea group) and N3H and N1H tautomerism (imidazole ring) were considered. The results suggest that the conformational flexibility of the molecules and the properties of the imidazole ring are of special importance in the display of H2-receptor activity. A theoretical model of histamine H2-receptor interactions is proposed on the basis of these and other results. A very important characteristic of our model is its ability to explain H2-receptor activation by compounds which differ structurally, and to explain antagonism at the same receptor. The stereospecificity of rigid analogues of cimetidine and tiotidine, and the importance of chain length in flexible histamine H2-antagonists are also accounted for.

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组胺h2受体的理论模型。
我们描述了咪唑系列组胺h2受体配体的电子和构象研究,其中考虑了构型异构(硫脲基团)和N3H和N1H互变异构(咪唑环)的可能性。结果表明,分子的构象柔韧性和咪唑环的性质对h2受体活性的表现具有特别重要的影响。在这些和其他结果的基础上,提出了组胺h2受体相互作用的理论模型。我们的模型的一个非常重要的特点是它能够解释不同结构的化合物对h2受体的激活,并解释同一受体的拮抗作用。西咪替丁和噻替丁刚性类似物的立体特异性,以及柔性组胺h2拮抗剂链长度的重要性也被考虑在内。
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