Zhang Qiang, Keenan Susan M, Peng Youyi, Nair Anil C, Yu Seong Jae, Howells Richard D, Welsh William J
Department of Pharmacology, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute, Piscataway, New Jersey 08854, USA.
J Med Chem. 2006 Jul 13;49(14):4044-7. doi: 10.1021/jm0601250.
We report the computer-aided design, chemical synthesis, and biological evaluation of a novel family of delta opioid receptor (DOR) antagonists containing a 1,2,4-triazole core structure that are structurally distinct from other known opioid receptor active ligands. Among those delta antagonists sharing this core structure, 8 exhibited strong binding affinity (K(i) = 50 nM) for the DOR and appreciable selectivity for delta over mu and kappa opioid receptors (delta/mu = 80; delta/kappa > 200).
我们报告了一类新型δ阿片受体（DOR）拮抗剂的计算机辅助设计、化学合成及生物学评价，这类拮抗剂含有1,2,4-三唑核心结构，在结构上与其他已知的阿片受体活性配体不同。在具有这种核心结构的δ拮抗剂中，有8种对DOR表现出强结合亲和力（K(i)=50 nM），并且对δ受体相对于μ和κ阿片受体具有显著的选择性（δ/μ = 80；δ/κ>200）。
