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

Brianda L. Santini, Stephanie Wendel, Niklas Halbwedl, Asha Knipp, Martin Zacharias

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)3155-3162
Number of pages8
JournalComputational and Structural Biotechnology Journal
Volume23
DOIs
StatePublished - Dec 2024

Keywords

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

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