具有免疫刺激活性的二肽化合物的结构表征：3-(5-硫代-L-脯氨酰)-L-噻唑烷-4-羧酸

Structural characterization of a dipeptide compound with immunostimulant activity: 3-(5-thioxo-L-prolyl)-L-thiazolidine-4-carboxylic acid.

作者信息

Artali R, Bombieri G, Meneghetti F, Nava D, Ragg E, Stradi R

机构信息

Istituto di Chimica Farmaceutica e Tossicologica, Viale Abruzzi, 42, I-20131 Milano, Italy.

出版信息

Farmaco. 2003 Sep;58(9):883-9. doi: 10.1016/S0014-827X(03)00146-0.

DOI:10.1016/S0014-827X(03)00146-0

PMID:13679183

Abstract

The structural characteristics of an immunostimulating agent (3-(5-thioxo-L-prolyl)-L-thiazolidine-4-carboxylic acid) have been established using a combination of 1H and 13C NMR spectroscopy, molecular mechanic calculations (in vacuo and in solution) and X-ray crystallographic analyses. Conformational calculations and NMR spectra identify two classes of conformers, cis and trans, around the peptide bond between the rings, while in the solid state only the cis form has been found.

摘要

已通过结合氢核磁共振（¹H NMR）、碳核磁共振（¹³C NMR）光谱、分子力学计算（真空及溶液状态）和X射线晶体学分析确定了一种免疫刺激剂（3-(5-硫代-L-脯氨酰)-L-噻唑烷-4-羧酸）的结构特征。构象计算和核磁共振光谱确定了该环之间肽键周围存在顺式和反式两类构象异构体，而在固态中仅发现了顺式构象。