The first de novo-designed antagonists of the human NK2 receptor
The first de novo-designed antagonists of the human NK2 receptor
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DOI：
10.1021/jm050533o
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发表时间：
2005-09-08
影响因子：
7.3
通讯作者：
Fishwick, CWG
中科院分区：
文献类型：
--
作者：
Ali, MA;Bhogal, N;Fishwick, CWG
从头分子设计程序SPROUT已与分子模型结合使用，以产生一类新的NK 2受体拮抗剂的分子模板。一个有效的，立体控制合成的小系列的分子，旨在测试这种模板的有效性，开发。使用重组人NK 2受体的竞争测定支持这种新设计的分子模板的结构要求。
The de novo molecular design program SPROUT has been used in conjunction with a molecular model to produce a molecular template for a new class of NK2 receptor antagonist. An efficient, stereocontrolled synthesis of a small series of molecules, designed to test the validity of this template, was developed. Competition assays using recombinant human NK2 receptor support the structural requirements of this new designed molecular template.