Synthesis, biological evaluation and molecular modelling insights of 2-arylquinazoline benzamide derivatives as anti-tubercular agents

Abstract

New 2-arylquinazoline benzamide derivatives were synthesized and screened against H37RV strain, compounds displayed specific and potent anti-mycobacterial activity against Mycobacterium tuberculosis. 9a, 9c, 9d, 9e, 9f, 9h, 13b, 17d and 17e exhibited selective and good inhibitory activity against Mycobacterium tuberculosis with the MIC values range of 4–32 μg/mL. Molecular modelling studies also supports that the active molecules can fit well in the binding pocket of GlmU with good ligand-protein interactions, strong binding energies and satisfactory ADMET properties results (obeys the Lipinski rule of 5). Comprehensively, the studies recommended that these new quinazoline derivatives have the potential to be further develop as prospective anti-mycobacterial leads.