Nonsteroidal anti-inflammatory drugs (NSAIDs): A comparative QSAR study

The QSARs of nonsteroidal anti-inflammatory drugs (NSAIDs) were analyzed. Focus was on the inhibition of the carrageenan rat or mouse paw edema, the inhibition of the pleural inflammation induced in male rats by the intrapleural injection of the calcium ionophore A-23187, and the inhibition of induced adjuvant arthritis in rats. In formulation of the QSAR, only calculated log P values were employed. The values of substituent constants (π, σ, Es, MR, B1, B5, and L) were taken from the literature, and the QSAR regression analyses were executed with the C-QSAR program. Multivariate linear/nonlinear regression models were employed. In 13 out of 60 cases, Clog P played a significant part in the QSAR of the anti-inflammatory agents. Furthermore in four out of 13 cases, Clog P with a negative sign seemed to be more important. It was confirmed that log P calculated by the Clog P program is suitable for QSAR studies.