Evaluation of anti-bacterial activity of novel 2, 3-diaminoquinoxaline derivatives: design, synthesis, biological screening, and molecular modeling studies

A series of nonsymmetrical 2,3-diaminoquinoxaline derivatives prepared straight-forwardly by the C-N coupling between chloro-quinoxaline (2,3-DCQ) and various amino substrates. Synthesized products (4a-z) with excellent purity (1HNMR) without performing flash column chromatography purification. Investigated antibacterial activity selected nine compounds against Gram-positive, Gram-negative bacterial strains, additional fungal strains. Overall, screened (4b, 4c, 4 h, n) presented significant The resulting lead, displaying a novel quinoxaline compound (4c), showed 10.5 14.89 mm all strains except A. Niger. Molecular docking studies revealed binding poses critical interactions analogues at quinolone-binding site S. aureus DNA gyrase. results are in accordance antimicrobial testing data. Binding these new (as intercalators) involves contribution from: I) Protein: Ser-1084, II) DNA: DG (G) 9 DA (H) 13; III) Mg+2 ion for their binding.