Table 1.
The interaction energy (kcal/mol) of DNA gyrase B and drugs obtained from the molecular docking
| S no. | Drugs | Binding energy (kcal/mol) | Docked energy (kcal/mol) | Inter molecular energy (kcal/mol) | Torsional energy (kcal/mol) | Internal energy (kcal/mol) | RMSD |
|---|---|---|---|---|---|---|---|
| 1. | Albamycin | −04.45 | −02.26 | −06.94 | 2.49 | 04.68 | 133.15 |
| 2. | Coumermycin | −07.13 | 19.55 | −10.87 | 3.74 | 30.42 | 149.55 |
| 3. | Cyclothialidine | −16.24 | −16.20 | −18.53 | 2.49 | 02.53 | 123.77 |
| 4. | Cinodine I | −11.51 | −09.14 | −17.11 | 5.60 | 07.97 | 145.20 |
| 5. | Novobiocin | −08.46 | −05.79 | −10.64 | 2.18 | 04.85 | 125.65 |
| 6. | Clerocidin | −08.67 | 07.95 | −13.96 | 5.29 | 21.91 | 131.25 |
| 7. | Nalidixic acid | −00.59 | −00.81 | −01.22 | 0.62 | 00.41 | 138.00 |
| 8. | Cathomycin | −03.02 | −03.94 | −04.57 | 1.56 | 00.63 | 136.03 |