通过功能反转方法发现新型（S）-alpha-苯基-gamma-氨基丁酰胺类 CCR5 拮抗剂。
Discovery of novel (S)-alpha-phenyl-gamma-amino butanamide containing CCR5 antagonists via functionality inversion approach.
机构信息
State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, CAS, 555 Zuchongzhi Road, Shanghai 201203, China.
出版信息
Bioorg Med Chem Lett. 2010 Apr 1;20(7):2219-23. doi: 10.1016/j.bmcl.2010.02.023. Epub 2010 Feb 10.
By using functionality inversion approach, we identified a new scaffold containing (S)-alpha-phenyl-gamma-amino butanamide as CCR5 antagonists derived from the 1,3-propanediamine carboxamide pharmacophore protocol. The (2S)-2-phenyl-4-(8-aza-bicyclo[3.2.1]octan-8-yl)-butanamide derivatives display significantly high potency to antagonize CCR5 receptor with nanomolar IC(50) values.
通过使用功能反转方法，我们从 1,3-丙二胺甲酰胺药效团方案中鉴定出一种含有 (S)-alpha-苯基-gamma-氨基丁酰胺的新型支架，它是 CCR5 拮抗剂。(2S)-2-苯基-4-(8-氮杂双环[3.2.1]辛烷-8-基）-丁酰胺衍生物对 CCR5 受体具有显著的拮抗活性，纳摩尔 IC(50)值。
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