Structure of Rapamycin: An NMR and Molecular‐Dynamics Investigation
作者:
Horst Kessler,
Rainer Haessner,
Wolfgang Schüler,
期刊:
Helvetica Chimica Acta
(WILEY Available online 1993)
卷期:
Volume 76,
issue 1
页码: 117-130
ISSN:0018-019X
年代: 1993
DOI:10.1002/hlca.19930760106
出版商: WILEY‐VCH Verlag GmbH
数据来源: WILEY
摘要:
AbstractThe highly active immunosuppressive antibiotic rapamycin is a specific inhibitor of a signal transduction pathway that results in exocytosis and transcription. We report the results of the homo‐ and heteronuclear NMR experiments of rapamycin in DMSO leading to a complete assignment of the1H‐ and13C‐NMR signals. With exception of one CH2group, all diastereotopic assignments could be achieved using heteronuclear long‐range coupling constants. Restrained molecular‐dynamics simulation in the same solvent as the NMR experiments led to a well defined conformation of the rapamycin molecule in solution. Differences between the solution and crystal structures are
点击下载:
PDF
(777KB)
返 回