Table 4 Binding energies (∆G) of the identified volatile constituents using hydro-distillation (HD), and headspace (HS), within the active sites of NorA efflux pump through molecular docking and the data expressed in kcal/mol
No | Compound | ∆G (Kcal/mol) |
|---|---|---|
1. | α-Cadinol | -5.53 |
2. | Cadina-3,9-diene | -5.18 |
3. | tau-Muurolol | -4.98 |
4. | Bicyclogermacrene | -4.81 |
5. | Germacrene D | -4.71 |
6. | α-Terpineol | -4.50 |
7. | Cymene | -4.41 |
8. | β-caryophyllene | -4.32 |
9. | α-Pinene | -4.06 |
10. | Eucalyptol | -4.05 |