QSAR analysis of heteroaryl derivatives of 1,2-diarylimidazole with cyclooxygenase-2 inhibitory activity

The human cyclooxygenase-2 inhibition activity for two series of compounds, namely the substituted 1,2-diarylimidazoles and the heteroaryl modified 1,2-diarylimidazoles is quantitatively analysed in relation to their physicochemical parameters and van derWaals volume, V_w. Significant correlations are obtained between the cyclooxygenase-2 inhibition activity and hydrophobic constant, π, molar refraction parameter and some indicator variables reflecting important structural binary variations in the first series of compounds. In the second series of compounds, however, the structural parameter V_w, along with indicator variables is found to play a significant role. Based on present findings, the strategy of substituent selection and possible modes of action of both series of compounds are discussed.