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A quantitative structure activity relationship (QSAR) was employed to find out the correlation between the structural properties and angiotensin II receptor antagonistic activity of 4,5-dihydro- 4-oxo-3H-imidazo(4,5-c)pyridines collected from the literature. The multiple linear regression (MLR) and non-linear regression (NLR) analyses have been carried out to derive best QSAR models. The developed models were cross-validated by the 'leave one out' technique as well as by the calculation of statistical parameters. The present investigation indicated the importance of the quantum chemical descriptor, energy of lowest unoccupied molecular orbital, LUMO and the lipophilic parameter, log P, in contribution to the studied biological activity. The results of NLR showed that neglecting log P, based on its low correlation by MLR, as followed by most of the QSAR studies, can lead to fortuitous results and one must perform non-linear regression before coming to a decision on the contribution of the lipophilic parameter, log P.

QSAR studies of 4,5-dihydro-4-oxo-3H-imidazo[4,5-c]pyridines as potent angiotensin II receptor antagonists by MLR and NLR analysis