Synthesis, antibacterial and QSAR studies of highly substituted imidazole derivatives

Abstract EN

This paper describes obtaining some potential antibacterial imidazoles using QSAR method.

Highly substituted imidazoles were synthesized and studied their bacterial activities.

Some of the compounds showed considerable bactericidal activities against S.

aureus.

MLR models for various ring substituted imidazoles were derived to elucidate their structure-activity relationships.

The descriptors used in the model relate to surface area, volume, dipole moment and the properties of molecule.

Both the training set and test set compounds were modeled to the established procedures and were aligned.

There were good correlations between the predicted and experimental activities for both the test set and training set compounds by MLR models.

The derived MLR models have a very good predictability (q2 > 0.81).

According to this study, six new imidazoles having high biological activity against S.

aureus were suggested.