IDENTIFICATION OF SUBSTITUTED 4, 7-DIHYDROY-8-(4-METHYL-1H-BENZO [B] [1, 4] DIAZEPIN-2-YL)-3-PHENYL-CHROMEN-2-ONE ANALOGUES AS ANTIMICROBIAL AGENTS, MOLECULAR DOCKING AND PHARMACOKINETIC EVALUATION

Antibacterial activity of a set of eleven (11) substituted benzodiazapine-chromene-2-ones on gram-positive bacteria (Bacillus licheniformis, Bacillus subtilis, and Staphylococcus aureus) and gram-negative bacteria (Escherichia coli, Klebsiella pneumonia and Pseudomonas aeruginosa) were performed. The compounds were also tested on fungal species (Aspergilusniger, Candida albicans, Fusariumoxysporum, Fusariumsolani). Docking analysis was accomplished to expertise the formational features and binding mechanism of synthesized different 4, 7-Dihydroy-8-(4-Methyl-1h-Benzo [B] [1, 4] Diazepin-2-yl)-3-phenyl-chromen-2-one analogues and were docked against the structures of Staphylococcus aureus DNA gyrase (PDB ID: 3G7B) and Candidapespsin-5 through Candida albicans (PDB ID: 2QZX). The structures of derivatives were sketched using Chemdraw Ultra 12.0.2 and they are converted to pdb format using babel conversion tool. Autodock Vina of PyRx was used for molecular docking studies. All synthesized derivatives had shown interactions with binding energies. Pharmacokinetic evaluation results indicate the compounds possess drug-likeness properties.