Table 6.
Docking score by interaction between ligand and macromolecule.
|
Bacillus cereus(+) |
Escherichia coli(-) |
Aspergillus niger(Fungi) |
|||||||
|---|---|---|---|---|---|---|---|---|---|
| Binding affinity (kcal/mol) | No of H bond | Total bonds | Binding affinity (kcal/mol) | No of H bond | Total bonds | Binding affinity (kcal/mol) | No of H bond | Total bonds | |
| IL01 | -5.9 | 04 | 05 | -5.8 | 03 | 04 | -5.4 | 03 | 05 |
| IL 02 | -6.6 | 02 | 04 | -6.1 | 02 | 07 | -5.8 | 01 | 05 |
| IL 03 | -6.0 | 02 | 04 | -5.8 | 02 | 07 | -6.0 | 04 | 05 |
| IL 04 | -5.8 | 03 | 08 | -5.5 | 02 | 06 | -6.0 | 03 | 04 |
| IL 05 | -6.7 | 03 | 06 | -6.0 | 03 | 08 | -6.5 | 02 | 06 |
| IL06 | -5.5 | 00 | 03 | -5.9 | 01 | 03 | -6.2 | 02 | 04 |
| IL 07 | -6.2 | 04 | 05 | -6.0 | 03 | 06 | -6.3 | 03 | 04 |
| IL08 | -6.0 | 02 | 04 | -5.8 | 00 | 04 | -6.4 | 03 | 05 |
| Starting | -2.8 | 00 | 03 | -3.0 | 00 | 03 | -2.8 | 00 | 04 |