Table 1.
In-silico docking analysis of TCTP versus Buclizine
| S. no | Protein | Ligand | Affinity | RMSD (I. B.) |
RMSB (U. B.) |
No. of bonds | Peptide– llele interaction (non-bound) | Distances | Category |
|---|---|---|---|---|---|---|---|---|---|
| 1 | TCTP (Lumbricus terrestris) | Buclizine | − 6.1 | 4.633 | 8.898 |
2 hydrogen bonds + 6 hydrophobic bonds |
:UNK0:C - B:ASN49:O | 3.64063 | Hydrogen Bond |
| :UNK0:C - B:ALA45:O | 3.58072 | Hydrogen Bond | |||||||
| B:ALA50:CB - :UNK0 | 3.9661 | Hydrophobic | |||||||
| :UNK0:Cl - B:ILE41 | 5.40736 | Hydrophobic | |||||||
| :UNK0:Cl - B:ALA62 | 4.17849 | Hydrophobic | |||||||
| :UNK0:C - B:ALA50 | 4.28267 | Hydrophobic | |||||||
| :UNK0 - B:ALA45 | 4.19758 | Hydrophobic | |||||||
| :UNK0 - B:ALA45 | 4.92024 | Hydrophobic |