cPEPmatch Webserver: A comprehensive tool and database to aid rational design of cyclic peptides for drug discovery

Abstract

Cyclic peptides have emerged as versatile scaffolds in drug discovery due to their stability and specificity. Here, we present the cPEPmatch webserver (accessible at https://t38webservices.nat.tum.de/cpepmatch/), an easy-to-use interface for the rational design of cyclic peptides targeting protein-protein interactions combined with a semi-quantitative evaluation of binding stability. This platform also offers access to a comprehensive database of cyclic peptide crystal structures. We demonstrate the webserver's utility through a series of case studies involving medically relevant protein systems, highlighting its potential to significantly advance drug discovery efforts.

Keywords

• Cyclic peptides
• Rational drug design
• Molecular dynamics
• Protein-protein complexes
• Protein binding modulation