F. Ulrich

Apr 11, 2023 | pubs.acs.org | Timothy S. Chisholm |Christopher A Hunter |F. Ulrich

Fibrillar protein aggregates are characteristic of neurodegenerative diseases but represent difficult targets for ligand design, because limited structural information about the binding sites is available. Ligand-based virtual screening has been used to develop a computational method for the selection of new ligands for Aβ(1–42) fibrils, and five new ligands have been experimentally confirmed as nanomolar affinity binders.