High-throughput discovery of inhibitory protein fragments with AlphaFold.

ABSTRACT: Peptides can bind to specific sites on larger proteins and thereby function as inhibitors and regulatory elements. Peptide fragments of larger proteins are particularly attractive for achieving these functions due to their inherent potential to form native-like binding interactions. Recently developed experimental approaches allow for high-throughput measurement of protein fragment inhibitory activity in living cells. However, it has thus far not been possible to predict de novo which of the many possible protein fragments bind to protein targets, let alone act as inhibitors. We have developed a computational method, FragFold, that employs AlphaFold to predict protein fragment binding to full-length proteins in a high-throughput manner. Applying FragFold to thousands of fragments ti

SUBMITTER: Savinov A 

PROVIDER: S-EPMC10769210 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature