An NMR study of inclusion complexes formed by α-cyclodextrin and (R)- or (S)-α-lipoic acid
An NMR study of inclusion complexes formed by α-cyclodextrin and (R)- or (S)-α-lipoic acid
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DOI：
10.1007/s10847-011-0082-8
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发表时间：
2012-08-01
影响因子：
2.3
通讯作者：
Terao, Keiji
中科院分区：
文献类型：
--
作者：
Ikeda, Hiroshi;Ikuta, Naoko;Terao, Keiji
提出了探索α-环糊精（α-CD）优先结合（R）-α-硫辛酸的能力的H-1 NMR研究。发现α-CD与（R）-α-硫辛酸之间的相互作用强于α-CD与（S）-α-硫辛酸之间的相互作用。使用来自ROESY光谱和MM 2分子力学计算的限制构建（R）-α-硫辛酸/α-CD和（S）-α-硫辛酸/α-CD包合物的结构。为这两种复合物建立的模型具有1，2-二硫戊环和α-硫辛酸的羧基部分，分别朝向α-CD的仲羟基和伯羟基侧。
A H-1 NMR study that explored the ability of alpha-cyclodextrin (alpha-CD) to preferentially bind (R)-alpha-lipoic acid is presented. The interaction between alpha-CD and (R)-alpha-lipoic acid was found to be stronger than that between alpha-CD and (S)-alpha-lipoic acid. Structures for the (R)-alpha-lipoic acid/alpha-CD and (S)-alpha-lipoic acid/alpha-CD inclusion complexes were constructed using restraints derived from ROESY spectra and MM2 molecular mechanics calculations. The models built for both complexes have the 1,2-dithiolane ring and the carboxyl moiety of alpha-lipoic acid oriented toward the secondary and primary hydroxy sides of alpha-CD, respectively.