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Interaction CDOCKER energy scores and hydrogen bonding interactions of the synthesized spiroindoles (6b, 6d and 6g) in the active site of PDB ID: 7C8U.
| Compd. | CDOCKER interaction energy (‒Kcal mol−1) | Hydrogen bonding interactions |
|---|---|---|
| 6b | 52.58 | Phosphonate P O … GLN189, Indolyl NH … GLU166, Indolyl Cl…CYS145 |
| 6d | 49.017 | Piperidinyl N … GLN189, Phosphonate P O … GLN189 |
| 6g | 48.823 | Phosphonate P O … GLU166, Phosphonate OEt … GLN189 |
