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Identification of a Pharmacophore on H_1 Histamine Receptor Antagonists: A Molecular Modeling Study

机译:H_1组胺受体拮抗剂药效基团的鉴定:分子建模研究。

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摘要

A systematic conformational search was performed on a set of H_1 histamine receptor antagonists in an effort to define a pharmacophore. This study suggests that the H_1 receptor may bind antihistamines with two acidic moieties located between 4.97A and 6.15A from one another. Disulfide bond formation is also possible for this class of antihistamines. This, however, would not explain reversible binding unless a thioesterase is involved.
机译:为了确定药效基团,对一组H_1组胺受体拮抗剂进行了系统的构象搜索。这项研究表明,H_1受体可能将抗组胺药与位于4.97A和6.15A之间的两个酸性部分结合。这类抗组胺药也可能形成二硫键。然而,除非涉及硫酯酶,否则这不能解释可逆结合。

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