Discovery Technologies & Discovery Chemistry, F Hoffmann-La Roche Inc. 340 Kingsland St., Nutley, NJ 07110, USA.
ChemMedChem. 2013 May;8(5):726-32. doi: 10.1002/cmdc.201200540. Epub 2013 Feb 21.
A novel strategy for designing libraries targeting protein-protein interfaces enabled us to identify diverse chemical entry points to interact with therapeutic targets for which conventional screening libraries delivered no or only few hit structures. The concept was experimentally validated by early hit evaluation in biochemical screens and early ADMET profiling.
靶向质子泵抑制剂(PPIs):一种设计靶向蛋白质-蛋白质相互作用文库的新策略,使我们能够识别与治疗靶点相互作用的多种化学进入点,而传统的筛选文库则无法提供这些靶点的命中结构或仅提供少数命中结构。该概念通过在生化筛选中进行早期命中评估和早期 ADMET 分析得到了实验验证。