Synthesis, Antimicrobial Activity and Molecular Docking of Pyrazole Bearing the Benzodiazepine Moiety

A convenient one-pot synthesis of pyrazole bearing benzodiazepine derivatives (2a-t) is described with the use of simple chemicals. Structures of the synthesized compounds are characterized by spectral techniques like IR, H-1-NMR, C-13-NMR, and ESI-MS. Synthesized compounds were studied for their antimicrobial activity against strains of bacteria (E. coli, P. aeruginosa and S. aureus, S. pyogenes) and fungi (C. albicans, A. niger, and A. clavatus) using serial dilution method. In the present study, derivatives 2b and 2e, furnished excellent antibacterial activity while 2i and 2k, showed potential antifungal activity. Molecular docking against critical microbial target DNA gyrase could provide insights into binding modes of molecules and the thermodynamic interactions influencing the binding affinity.