Complexation and medium effects on the conformation of cyclosporin A studied by NMR spectroscopy and molecular dynamics calculations.
The conformation of cyclosporin A was investigated in different environments. Whereas there was no distinct difference between the structure of CSA in CDCl3 and THF, the addition of LiCl caused a conformational change. Also, using polar solvents (DMSO, water) induced conformational changes in the backbone as well as the side chains.
Kessler
H
H
Institut für Organische Chemie, J.W. Goethe-Universität, Frankfurt am Main, F.R.G.
Gehrke
M
M
Lautz
J
J
Köck
M
M
Seebach
D
D
Thaler
A
A
D001554:Benzene; D002712:Chlorides; D002725:Chloroform; D003524:Cyclosporins / Q000032:analysis*; D003903:Deuterium; D005663:Furans; D008094:Lithium; D018021:Lithium Chloride; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D011487:Protein Conformation
D002712:Chlorides; D003524:Cyclosporins; D005663:Furans; C018674:tetrahydrofuran; D002725:Chloroform; D008094:Lithium; D003903:Deuterium; D018021:Lithium Chloride; D001554:Benzene