Tarasov Artyom S, Minnullina Guzel A, Efimov Sergey V, Kobchikova Polina P, Khodov Ilya A, Klochkov Vladimir V
Institute of Physics, Kazan Federal University, 18 Kremlevskaya St., Kazan 420008, Russia.
Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, 6 Joliot-Curie St., Dubna 141980, Russia.
Int J Mol Sci. 2024 Dec 11;25(24):13312. doi: 10.3390/ijms252413312.
The spectral characteristics of cyclosporin C (CsC) with the addition of Dy ions in acetonitrile (CDCN) and CsC with Dy incorporated into dodecylphosphocholine (DPC) micelle in deuterated water were investigated by high-resolution NMR spectroscopy. The study was focused on the interaction between Dy ions and CsC molecules in different environments. Using a combination of one-dimensional and two-dimensional NMR techniques, we obtained information on the spatial features of the peptide molecule and the interaction between CsC and the metal ion. The non-uniform effect of the metal ion on different NMR signals of CsC was observed. The paramagnetic attenuation parameter was calculated for the amide, alpha, and beta protons of CsC upon the addition of Dy. The metal ion was found to interact with the polar part of the DPC micelle, and the ion also has a significant effect on the NMR signals of amino acid residues from Sar to d-Ala. This pattern is reproduced in both environments studied here and also agrees with earlier investigations of the CsA-Dy complex.
通过高分辨率核磁共振光谱研究了在乙腈（CDCN）中添加镝离子的环孢菌素C（CsC）以及在重水中掺入十二烷基磷酸胆碱（DPC）胶束的含镝CsC的光谱特征。该研究聚焦于不同环境中镝离子与CsC分子之间的相互作用。通过结合一维和二维核磁共振技术，我们获得了肽分子的空间特征以及CsC与金属离子之间相互作用的信息。观察到金属离子对CsC不同核磁共振信号的非均匀效应。计算了添加镝后CsC的酰胺、α和β质子的顺磁衰减参数。发现金属离子与DPC胶束的极性部分相互作用，并且该离子对从Sar到d-Ala的氨基酸残基的核磁共振信号也有显著影响。这种模式在本文研究的两种环境中均有重现，并且也与早期对CsA-Dy复合物的研究结果一致。
