| Literature DB >> 3981417 |
Y G Smeyers, S Cuéllare-Rodriguez, E Galvez-Ruano, M S Arias-Pérez.
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.Entities:
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Year: 1985 PMID： 3981417 DOI： 10.1002/jps.2600740113
Source DB: PubMed Journal: J Pharm Sci ISSN： 0022-3549 Impact factor: 3.534