1. Academic Validation
  2. Pharmacophore-based small molecule CXCR4 ligands

Pharmacophore-based small molecule CXCR4 ligands

  • Bioorg Med Chem Lett. 2012 Jun 15;22(12):4169-72. doi: 10.1016/j.bmcl.2012.04.032.
Tetsuo Narumi 1 Tomohiro Tanaka Chie Hashimoto Wataru Nomura Haruo Aikawa Akira Sohma Kyoko Itotani Miyako Kawamata Tsutomu Murakami Naoki Yamamoto Hirokazu Tamamura
Affiliations

Affiliation

  • 1 Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University, Tokyo 101-0062, Japan.
Abstract

Low molecular weight CXCR4 ligands were developed based on the peptide T140, which has previously been identified as a potent CXCR4 Antagonist. Some compounds with naphthyl, fluorobenzyl and pyridyl moieties as pharmacophore groups in the molecule showed significant CXCR4-binding activity and anti-HIV activity. Structure-activity relationships were studied and characteristics of each of these three moieties necessary for CXCR4 binding were defined. In this way, CXCR4 ligands with two types of recognition modes for CXCR4 have been found.

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