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Conformational analysis of some alpha-phenylpropionic acids with anti-inflammatory activity.

Authors :
Smeyers YG
Cuéllare-Rodriguez S
Galvez-Ruano E
Arias-Pérez MS
Source :
Journal of pharmaceutical sciences [J Pharm Sci] 1985 Jan; Vol. 74 (1), pp. 47-9.
Publication Year :
1985

Abstract

CNDO/2 quantum mechanical conformational calculations, as well as 13C and 1H NMR measurements, have been carried out for the propionic acid residues of 2-(p-isobutylphenyl)propionic acid (ibuprofen) and 2-methyl-2-(p-isobutylphenyl)propionic acid. A relationship between the conformational angle of the propionic acid residue and the anti-inflammatory activity appears to exist. The more open the Ph--C alpha--COOH dihedral angle, the larger the anti-inflammatory activity.

Details

Language :
English
ISSN :
0022-3549
Volume :
74
Issue :
1
Database :
MEDLINE
Journal :
Journal of pharmaceutical sciences
Publication Type :
Academic Journal
Accession number :
3981417
Full Text :
https://doi.org/10.1002/jps.2600740113