Institute of Biomaterials and Bioengineering, Tokyo Medical and Dental University, Tokyo 101-0062, Japan.
Bioorg Med Chem Lett. 2012 Jun 15;22(12):4169-72. doi: 10.1016/j.bmcl.2012.04.032. Epub 2012 Apr 20.
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.
基于先前被鉴定为强效 CXCR4 拮抗剂的肽 T140，开发了低分子量 CXCR4 配体。一些化合物的分子中具有萘基、氟苄基和吡啶基作为药效团，表现出显著的 CXCR4 结合活性和抗 HIV 活性。研究了结构-活性关系，并确定了这些药效团中每一个对于 CXCR4 结合所必需的特征。通过这种方式，发现了两种类型的 CXCR4 配体，它们具有针对 CXCR4 的两种识别模式。
