mriselMagnetic Resonance in SolidsMagnetic Resonance in Solids2072-5981Kazan Federal Universitymrisel-163Research ArticleСтатьиNMR studies and molecular dynamics simulation of cyclosporin in complex with detergent micellesEfimovS. V.

Kremlevskaya, 18, Kazan 420008

Sergej.Efimov@ksu.ruKlochkovV. V.

Kremlevskaya, 18, Kazan 420008

Kazan Federal UniversityRussian Federation20122001202414212202 (5 pp.)Copyright © Efimov S.V., Klochkov V.V., 20242024Efimov S.V., Klochkov V.V.Efimov S.V., Klochkov V.V.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://www.mrsej.ru/jour/article/view/163

Cyclosporin A is a highly hydrophobic peptide, but its complex with sodium dodecyl sulphate micelles can be readily dissolved in water. Nuclear magnetic resonance (NMR) investigations of cyclosporin bound to detergent micelles were carried out (including NOE spectroscopy) and yielded internuclear distances for a set of atom pairs. Based on these structural data, conformation of cyclosporin was obtained by means of molecular dynamics simulation.

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The authors declare that there are no conflicts of interest present.