Rational design of conformationally constrained cyclopentapeptide antagonists for C-x-C chemokine receptor 4 (CXCR4)

Research output: Contribution to journalJournal articleResearchpeer-review

  • Jignesh Mungalpara
  • Stefanie Thiele
  • Øystein Eriksen
  • Johann Eksteen
  • Rosenkilde, Mette
  • Jon Våbenø

In the absence of an experimentally determined binding mode for the cyclopentapeptide CXCR4 antagonists, we have rationally designed conformationally constrained analogues to further probe the small peptide binding pocket of CXCR4. Two different rigidification strategies were employed, both resulting in highly potent ligands (9 and 13). The information provided by this cyclopentapeptide ligand series will be very valuable in the development of novel peptidomimetic CXCR4 antagonists.

Original languageEnglish
JournalJournal of Medicinal Chemistry
Issue number22
Pages (from-to)10287-10291
Number of pages5
Publication statusPublished - 9 Oct 2012

    Research areas

  • Drug Design, Humans, Ligands, Models, Molecular, Molecular Conformation, Peptides, Cyclic, Peptidomimetics, Protein Conformation, Receptors, CXCR4

ID: 138143015