Defining determinant molecular properties for the blockade of the apamin-sensitive SKCa channel in guinea-pig hepatocytes:: the influence of polarizability and molecular geometry

被引：6

作者：

Galanakis, D ^{[1
]}

Ganellin, CR

机构：

[1] Aristotle Univ Thessaloniki, Sch Pharm, Dept Pharmaceut Chem, Thessaloniki 54124, Greece

[2] UCL, Dept Chem, London WC1E 6BT, England

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2004年 / 14卷 / 15期

关键词：

polarizability; QSAR; SKCa blockers; apamin; UCL; 1848;

D O I：

10.1016/j.bmcl.2004.05.031

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

QSAR studies of a series of blockers of the SKCa channel in guinea-pig hepatocytes suggests that the polarizability of the blocker is an important factor controlling the binding to the channel. It is suggested that, upon binding, an ion-pair is formed, a process that is promoted by the reorganization of the water molecules. The polarizability is not adequate to describe the potency of the most potent blockers with a good stereochemical fit to the channel, presumably due to more specific interactions taking place. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：4031 / 4035

页数：5

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