Features of spatial structures of cyclosporins D, E and G revealed by NMR and MD simulations

статья
Авторы публикации: 
Kobchikova P. P., Efimov S. V., Khodov I. A., Klochkov V. V.
Журнал: 
Journal of Molecular Liquids
Год публикации: 
2021
Том/страницы: 
V. 336. - Art.116244

Cyclosporins D, E and G were characterised by NMR spectroscopy, and backbone flexibility was studied by molecular dynamics simulation. Structures of the molecules were characterised by nuclear Overhauser effect spectroscopy, which revealed that the studied peptides have many common features. Molecular dynamics simulation showed that nanosecond dynamics of the backbone occurs in all cyclosporins, except CsE, which raised a question of how it can influence its biological activity.

Опубликовано:
Колкер Римма Семеновна
(08.09.2021)