Design of Cyclic Peptides Targeting Protein-Protein Interactions Using AlphaFold.

ABSTRACT: More than 930,000 protein-protein interactions (PPIs) have been identified in recent years, but their physicochemical properties differ from conventional drug targets, complicating the use of conventional small molecules as modalities. Cyclic peptides are a promising modality for targeting PPIs, but it is difficult to predict the structure of a target protein-cyclic peptide complex or to design a cyclic peptide sequence that binds to the target protein using computational methods. Recently, AlphaFold with a cyclic offset has enabled predicting the structure of cyclic peptides, thereby enabling de novo cyclic peptide designs. We developed a cyclic peptide complex offset to enable the structural prediction of target proteins and cyclic peptide complexes and found AlphaFold2 with a cyclic pep

SUBMITTER: Kosugi T 

PROVIDER: S-EPMC10487914 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature