Rapid in silico Design of Potential Cyclic Peptide Binders Targeting Protein-Protein Interfaces.

ABSTRACT: Rational design of specific inhibitors of protein-protein interactions is desirable for drug design to control cellular signal transduction but also for studying protein-protein interaction networks. We have developed a rapid computational approach to rationally design cyclic peptides that potentially bind at desired regions of the interface of protein-protein complexes. The methodology is based on comparing the protein backbone structure of short peptide segments (epitopes) at the protein-protein interface with a collection of cyclic peptide backbone structures. A cyclic peptide that matches the backbone structure of the segment is used as a template for a binder by adapting the amino acid side chains to the side chains found in the target complex. For a small library of cyclic peptides w

SUBMITTER: Santini BL 

PROVIDER: S-EPMC7578414 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature