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Keywords:

  • library design;
  • pharmacophore searching;
  • protein–protein inhibition;
  • structure-based design
Thumbnail image of graphical abstract

Targeting PPIs: 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.