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. 2020 Nov 2;16(6):1432–1439. doi: 10.5114/aoms.2020.100304

Table II.

Data for the docking interactions of phosphorylcholine and statin molecules at the active sites of C-reactive protein (CRP) as the molecular target

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