三环类抗抑郁药的理论研究。“胺泵”受体可能的亚分子形貌结构。

Physiological chemistry and physics Pub Date : 1981-01-01
K Sundaram, S Mahajan
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引用次数: 0

摘要

关于抑制外周肾上腺素能神经末梢再摄取去甲肾上腺素的最佳三环抗抑郁药的可能结构已被报道。利用这一结果作为表明三环抗抑郁药可能在膜“泵”受体位点模仿生物胺的特殊构象,通过模拟两种类型的最佳抑制剂在叠加状态下的空间填充模型,计算出受体表面的地形。有了适当的计算机绘图设备,这些表面可以用来筛选其他未经测试的分子并预测它们的活性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Theoretical studies on tricyclic antidepressants. IV. Probable submolecular topographic structures of the "amine pump" receptor.

A probable structure for the best tricyclic antidepressant with respect to inhibition of reuptake of norepinephrine into peripheral adrenergic nerve terminals has been reported. Using tha result as indicating the particular conformation in which the tricyclic antidepressant is likely to mimic the biogenic amine at the membrane "pump" receptor site, the topography of the receptor surface has been worked out by simulating space-filling models of the best inhibitors of the two types in the superposed state. With appropriate computer graphic facilities such surfaces can be used to screen other untested molecules and to predict their activity.

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