一种含有II'型β-转角模拟物的生物活性环状LDV肽类似物的溶液结构。
Solution structure of a biologically active cyclic LDV peptide analogue containing a type II' beta-turn mimetic.
作者信息
Doyle P M, Harris J C, Moody C M, Sadler P J, Sims M, Thornton J M, Uppenbrink J, Viles J H
机构信息
Wellcome Research Laboratories, Wellcome Foundation Ltd, Beckenham, Kent, UK.
出版信息
Int J Pept Protein Res. 1996 Jun;47(6):427-36. doi: 10.1111/j.1399-3011.1996.tb01093.x.
The solution structure of cyclo-[Gly-Leu-Asp-Val-BTD] (BTD = beta-turn dipeptide) has been determined by two-dimensional 1H-NMR (nuclear magnetic resonance) spectroscopy and systematic conformational searching combined with molecular dynamics studies. The structure contains two hydrogen bonds between the Gly and Val residues, and a type I beta-turn with Leu and Asp at the (i + 1) and (i + 2) positions of the turn. The cyclic compound shows activity in a scintillation proximity assay (SPA) for the inhibition of the interaction between the integrin alpha 4 beta 1 and vascular cell adhesion molecule-1 (VCAM-I). The structure-activity relationship of the LDV sequence is discussed.
环[甘氨酸-亮氨酸-天冬氨酸-缬氨酸-β-转角二肽]（BTD =β-转角二肽）的溶液结构已通过二维¹H-NMR（核磁共振）光谱法以及系统的构象搜索并结合分子动力学研究得以确定。该结构在甘氨酸和缬氨酸残基之间包含两个氢键，并且在转角的（i + 1）和（i + 2）位置具有一个由亮氨酸和天冬氨酸组成的I型β-转角。该环状化合物在闪烁邻近分析（SPA）中表现出抑制整联蛋白α4β1与血管细胞粘附分子-1（VCAM-1）之间相互作用的活性。文中讨论了LDV序列的构效关系。
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