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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