Identification of novel non-peptide CXCR4 antagonists by ligand-based design approach

Satoshi Ueda, Manabu Kato, Shinsuke Inuki, Hiroaki Ohno, Barry Evans, Zi xuan Wang, Stephen C. Peiper, Kazuki Izumi, Eiichi Kodama, Masao Matsuoka, Hideko Nagasawa, Shinya Oishi, Nobutaka Fujii

Research output: Contribution to journalArticlepeer-review

29 Citations (Scopus)


The design and synthesis of novel non-peptide CXCR4 antagonists is described. The peptide backbone of highly potent cyclic peptide-based CXCR4 antagonists was entirely replaced by an indole framework, which was expected to reproduce the disposition of the key pharmacophores consistent with those of potential bioactive conformations of the original peptides. A structure-activity relationship study on a series of modified indoles identified novel small-molecule antagonists having three pharmacophore functional groups through the appropriate linkers.

Original languageEnglish
Pages (from-to)4124-4129
Number of pages6
JournalBioorganic and Medicinal Chemistry Letters
Issue number14
Publication statusPublished - 2008 Jul 15


  • Anti-HIV
  • Chemokine
  • CXCR4
  • Indole
  • SDF-1


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