Complexation and medium effects on the conformation of cyclosporin A studied by NMR spectroscopy and molecular dynamics calculations

H Kessler; M Gehrke; J Lautz; M Köck; D Seebach; A Thaler

doi:10.1016/0006-2952(90)90192-n

Complexation and medium effects on the conformation of cyclosporin A studied by NMR spectroscopy and molecular dynamics calculations

Biochem Pharmacol. 1990 Jul 1;40(1):169-73. doi: 10.1016/0006-2952(90)90192-n.

Authors

H Kessler¹, M Gehrke, J Lautz, M Köck, D Seebach, A Thaler

Affiliation

¹ Institut für Organische Chemie, J.W. Goethe-Universität, Frankfurt am Main, F.R.G.

PMID: 2164815
DOI: 10.1016/0006-2952(90)90192-n

Abstract

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.

Publication types

Comparative Study
Research Support, Non-U.S. Gov't

MeSH terms

Benzene
Chlorides
Chloroform
Cyclosporins / analysis*
Deuterium
Furans
Lithium
Lithium Chloride
Magnetic Resonance Spectroscopy / methods
Protein Conformation

Substances

Chlorides
Cyclosporins
Furans
tetrahydrofuran
Chloroform
Lithium
Deuterium
Lithium Chloride
Benzene