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三环类抗抑郁药的理论研究。IV. “胺泵”受体可能的亚分子拓扑结构。

Theoretical studies on tricyclic antidepressants. IV. Probable submolecular topographic structures of the "amine pump" receptor.

作者信息

Sundaram K, Mahajan S

出版信息

Physiol Chem Phys. 1981;13(6):523-6.

PMID:7346867
Abstract

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.

摘要

关于抑制去甲肾上腺素再摄取到外周肾上腺素能神经末梢方面,已报道了一种可能是最佳三环类抗抑郁药的结构。利用该结果来表明三环类抗抑郁药可能在膜“泵”受体部位模拟生物胺的特定构象,通过模拟处于叠加状态的两种类型最佳抑制剂的空间填充模型,已确定了受体表面的拓扑结构。借助适当的计算机图形设备,这样的表面可用于筛选其他未经测试的分子并预测它们的活性。

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Physiol Chem Phys. 1981;13(6):523-6.
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