Table II.
No. of target protein (PDB-ID) | Ligand | Docking score | pKi | H–bonding interactions with amino acid residues |
---|---|---|---|---|
1B09 | Rosuvastatin | –22.0777 | 16.14 | ASN_61 |
Fluvastatin | –21.3116 | 15.58 | ASP_60 ASN_61 |
|
Pitavastatin | –20.8739 | 15.26 | ASN_61 GLN_150 |
|
Atorvastatin | –20.0896 | 14.68 | GLN_150 | |
XRay Phosphorylcholine | –19.9102 | 14.55 | ASN_61 GLN_150 |
|
Pravastatin | –19.0900 | 13.95 | ASN_61 GLN_150 GLU_81 |
|
Simvastatin | –10.9197 | 7.98 | ASN_61 ASP_140 |
|
Lovastatin | –9.7223 | 7.10 | GLN_150 |