GlueFinder: A Data-Driven Framework for the Rational Discovery of Molecular Glues
- GlueFinder enables rational molecular glue discovery: GlueFinder systematically mines protein structures to identify ligandable pockets near protein– protein interfaces that can stabilize ternary complexes between therapeutic targets and E3 ubiquitin ligases
- Broad applicability to major oncogenic targets: Applied to EGFR, HER2, and KRAS, GlueFinder predicted candidate molecular glues capable of recruiting 24, 111, and 148 distinct E3 ligases, respectively, substantially expanding the range of potential degradation strategies
- Transforms targeted protein degradation design: By decoupling glue discovery from traditional degrader scaffolds and dependence on specific ligases such as VHL and Cereblon, GlueFinder provides a general computational framework for expanding the druggable proteome