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

Authors

• 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

Publication/Presentation Date

7-15-2008

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.

Volume

18

Issue

14

First Page

4124

Last Page

4129

ISSN

1464-3405

Published In/Presented At

Ueda, S., Kato, M., Inuki, S., Ohno, H., Evans, B., Wang, Z. X., Peiper, S. C., Izumi, K., Kodama, E., Matsuoka, M., Nagasawa, H., Oishi, S., & Fujii, N. (2008). Identification of novel non-peptide CXCR4 antagonists by ligand-based design approach. Bioorganic & medicinal chemistry letters, 18(14), 4124–4129. https://doi.org/10.1016/j.bmcl.2008.05.092

Disciplines

Business Administration, Management, and Operations | Health and Medical Administration | Management Sciences and Quantitative Methods

PubMedID

18539453

Department(s)

Administration and Leadership

Document Type

Article