Tropsha A E, Nizhniĭ S V, Iaguzhinskiĭ L S
Bioorg Khim. 1985 Oct;11(10):1402-16.
The data available in literature on the structure-activity relationships in the series of muscarinic antagonists have been analyzed. Three groups of the ammonium compounds are distinguished, each containing a specific chemical structure element. For the antagonist association with the receptor, the binding constant logarithms within each group depend linearly on the partition coefficient (pi) logarithms characterizing their distribution in the water-octanol system. The linear regression coefficients for pi are practically identical. A separate group consists of antagonists that have no ammonium grouping. Four possible modes of antagonist-receptor binding are surmized.
已对文献中有关毒蕈碱拮抗剂系列构效关系的现有数据进行了分析。区分出三类铵化合物,每类都含有一个特定的化学结构元素。对于拮抗剂与受体的结合,每组内的结合常数对数与表征其在水 - 辛醇体系中分布的分配系数(π)对数呈线性关系。π的线性回归系数实际上是相同的。另一组由不含铵基团的拮抗剂组成。推测出拮抗剂与受体结合的四种可能模式。