2. Academic Validation
  3. Identification of novel non-peptide CXCR4 antagonists by ligand-based design approach

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

  • Bioorg Med Chem Lett. 2008 Jul 15;18(14):4124-9. doi: 10.1016/j.bmcl.2008.05.092.
Satoshi Ueda 1,  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
Affiliations

Affiliation

  • 1 Graduate School of Pharmaceutical Sciences, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan.
PMID: 18539453 DOI: 10.1016/j.bmcl.2008.05.092
Abstract

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.

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