Spadoni G, Mor M, Tarzia G
Istituto di Chimica Farmaceutica e Tossicologica, Università degli Studi di Urbino, Urbino, Italia.
Biol Signals Recept. 1999 Jan-Apr;8(1-2):15-23. doi: 10.1159/000014564.
This paper reviews our progress made in characterizing structure-affinity relationships of indole-based melatonin analogs. Evidence is presented suggesting a preferred folded conformation for the amido side chain, almost orthogonal to the plane of indole. A 3D-QSAR comparative molecular field analysis (CoMFA) model, accounting for the observed differences in binding affinity within different classes of melatonergic ligands, and capable of quantitatively predicting the binding affinity of new compounds, is also reported.
本文综述了我们在表征基于吲哚的褪黑素类似物的结构-亲和力关系方面取得的进展。有证据表明酰胺侧链存在一种优选的折叠构象，几乎与吲哚平面正交。还报道了一种三维定量构效关系比较分子场分析（CoMFA）模型，该模型解释了不同类别的褪黑素能配体之间观察到的结合亲和力差异，并能够定量预测新化合物的结合亲和力。
