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Table 6 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

Compound Topoisomerase IV (PDB ID: 3FV5) Dihydropteroate synthase (PDB ID: 2VEG)
Glide energy Docking score Glide energy Docking score
C-6 − 35.998 − 4.31 − 43.185 − 3.731
C-7 − 39.459 − 4.521 NA NA
C-8 − 38.57 − 4.738 − 38.526 − 3.367
C-15 − 39.441 − 3.873 − 41.302 − 3.072
C-16 − 37.987 − 2.875 − 37.295 − 3.502
C-17 − 44.891 − 2.783 − 37.847 − 1.543
C-20 − 32.631 − 2.788 − 38.144 − 4.52
C-21 − 39.464 − 3.94 − 38.013 − 4.164
C-22 − 41.831 − 2.544 − 38.886 − 2.984
C-23 − 38.67 − 2.878 − 36.966 − 3.293
C-24 − 37.802 − 3.391 − 39.174 − 3.44
C-25 − 35.409 − 3.073 − 38.97 − 3.566
C-26 − 44.192 − 2.48 − 43.524 − 2.985
C-27 − 38.841 − 3.843 − 41.563 − 4.976
Std 1 − 30.501 − 4.962 − 43.814 − 5.436
Std 2 − 35.263 − 4.223 − 45.831 − 3.451
Std 3 − 31.056 − 5.216 − 31.967 − 5.436
Std 4 − 30.321 − 2.681 − 32.956 − 2.984
  1. Std 1 cefadroxil, Std 2 cefotaxime, Std 3 ciprofloxacin, Std 4 trimethoprim