含二胺的VLA - 4拮抗剂。
Diamine containing VLA-4 antagonists.
作者信息
Astles P C, Harris N V, Morley A D
机构信息
Aventis Pharma Ltd, Dagenham Research Centre, Dagenham, RM10 7XS, Essex, UK.
出版信息
Bioorg Med Chem. 2001 Aug;9(8):2195-202. doi: 10.1016/s0968-0896(01)00132-8.
Design and synthesis of a library as potential VLA-4 antagonists has been accomplished, based around a proposed pharmacophoric model. Compounds possessing submicromolar potency were identified and structure-activity relationships were seen across the library. Further derivatisation produced compounds with IC(50)'s <10 nmol for inhibiting the VLA-4 mediated binding of fibronectin to RAMOS cells, providing an ideal starting point for a lead optimisation Programme.
基于一个提出的药效团模型，已完成了作为潜在VLA - 4拮抗剂的化合物库的设计与合成。鉴定出了具有亚微摩尔效力的化合物，并观察到整个化合物库中的构效关系。进一步衍生化产生了抑制VLA - 4介导的纤连蛋白与RAMOS细胞结合的IC(50) <10 nmol的化合物，为先导优化计划提供了理想的起点。
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