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Table 5 Glide energy and docking scores of active diazenyl chalcones against bacterial targets

From: Antimicrobial, antioxidant and cytotoxic evaluation of diazenyl chalcones along with insights to mechanism of interaction by molecular docking studies

Compd Dihydrofolate reductase (PDB ID: 3SRW) Bacterial DNA gyrase (PDB ID: 4ZVI) UDP-N-Acetylmuramoyl-l-alanine:D-glutamate ligase (PDB ID: 1UAG)
Glide energy Docking score Glide energy Docking score Glide energy Docking score
C-6 − 53.318 − 8.905 − 40.196 − 2.998 − 52.199 − 6.816
C-7 − 48.033 − 6.733 − 48.864 − 3.284 − 44.529 − 5.43
C-8 − 51.794 − 9.221 − 40.172 − 2.785 − 47.141 − 4.578
C-15 − 51.925 − 7.884 − 36.247 − 2.811 − 52.048 − 6.752
C-16 − 46.398 − 6.641 − 42.473 − 3.998 − 48.58 − 6.623
C-17 − 53.159 − 5.404 − 48.849 − 2.952 − 54.593 − 5.738
C-20 − 44.995 − 7.949 − 37.737 − 2.292 − 47.809 − 5.426
C-21 − 48.438 − 7.822 − 39.35 − 0.388 − 48.855 − 7.095
C-22 − 62.888 − 7.544 − 44.539 − 4.174 − 47.117 − 2.358
C-23 − 51.842 − 7.466 − 38.982 − 3.514 − 43.714 − 5.357
C-24 − 49.104 − 8.713 − 37.46 − 3.745 − 45.616 − 5.746
C-25 − 52.339 − 8.762 − 34.594 − 1.489 − 40.456 − 4.682
C-27 − 55.625 − 8.632 − 44.69 − 3.645 − 51.016 − 6.063
Std 1 − 48.417 − 5.255 − 36.5 − 4.146 − 46.549 − 5.557
Std 2 − 53.011 − 5.387 − 46.046 − 4.137 − 57.925 − 5.537
Std 3 − 45.97 − 7.349 − 48.864 − 3.284 − 36.076 − 5.147
Std 4 − 36.186 − 8.106 − 36.281 − 4.086 − 33.133 − 5.702
Std 5 − 40.194 − 4.07
  1. Std 1 cefadroxil, Std 2 cefotaxime, Std 3 ciprofloxacin, Std 4 trimethoprim, Std 5 methicillin