三种内皮素拮抗剂在低温下的1H NMR构象研究及分子动力学
Conformational study of three endothelin antagonists with 1H NMR at low temperature and molecular dynamics.
作者信息
Verheyden P, Van Assche I, Brichard M H, Demaude T, Paye I, Scarso A, Van Binst G
机构信息
Department of Organic Chemistry, Vrije Universiteit Brussel, Belgium.
出版信息
FEBS Lett. 1994 May 9;344(1):55-60. doi: 10.1016/0014-5793(94)00352-1.
PMID:8181565
Abstract
The conformations of three endothelin antagonists, a cyclic pentapeptide, a linear tripeptide and a linear hexapeptide, are compared by 1H NMR and molecular dynamics. The three analogues have a Leu and a DTrp side chain which are oriented parallel, and an acidic group next to the DTrp residue.
摘要
通过核磁共振氢谱（¹H NMR）和分子动力学方法，比较了三种内皮素拮抗剂（一种环五肽、一种线性三肽和一种线性六肽）的构象。这三种类似物都有一个亮氨酸（Leu）和一个方向平行的D-色氨酸（DTrp）侧链，且在DTrp残基旁边有一个酸性基团。
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