Docking study, synthesis and antimicrobial evaluation of some novel 4-anilinoquinazoline derivatives.

A series of novel 4-anilinoquinazoline derivatives were designed and synthesized from benzoic acid through ring closure, chlorination or nucleophilic substitution. The structures of compounds were characterized by IR, H-NMR and mass spectroscopy. All synthesized derivatives were screened for their antimicrobial activities against Gram-positive (, , ) and Gram-negative (, , ) bacteria and also for antifungal activities against using the conventional micro dilution method. Most of the compounds have shown good antibacterial activities, especially compound having highest activities against at 32 μg/mL concentration while the tested compounds did not exhibited remarkable antifungal activities. The potential DNA gyrase inhibitory activity of these compounds was investigated using molecular docking simulation method. All compounds showed good results especially compound which showed the lowest ΔG results (-8.16 Kcal/mol).