Conformational studies on cimetidine and ranitidine by PCILO calculations and NMR spectroscopy.
Indian J Biochem Biophys
;
1992 Feb; 29(1): 54-64
Artículo
en Inglés
| IMSEAR
| ID: sea-28072
ABSTRACT
The conformational characteristics of two H2-receptor antagonists, cimetidine and ranitidine, have been investigated by quantum mechanical PCILO method and the results indicate a folded conformation for cimetidine stabilized by intramolecular hydrogen bonding and an extended backbone conformation for ranitidine. NMR investigations carried out on these two drugs in solution, however, indicate a predominance of an extended conformation for both the molecules. The significance of this result has been discussed in terms of the activity of these two drugs. Besides these studies, NMR experiments have also been carried out on the drugs incorporated into the lipid bilayers to investigate the drug-lipid interaction. The results from this study suggest that the hydrophobic portion of the drugs is buried in the hydrophobic hydrocarbon chains of the lipid bilayer, while the terminal hydrophilic end of the drug lies at the lipid-water interface.
Texto completo:
Disponible
Índice:
IMSEAR (Asia Sudoriental)
Asunto principal:
Teoría Cuántica
/
Ranitidina
/
Espectroscopía de Resonancia Magnética
/
Cimetidina
/
Conformación Molecular
Idioma:
Inglés
Revista:
Indian J Biochem Biophys
Año:
1992
Tipo del documento:
Artículo
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