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. 2022 Jul 5;13(3):191–196. doi: 10.4103/japtr.japtr_67_22

Table 3.

Binding affinity and hydrogen bond in complex coronavirus protease–ligands

Ligand Binding affinity (kcal/mol) Residues binding at ligand–protein complex

Hydrogen Interaction Hyrdrophobic Interaction
8O5/Query −8.46 Gly145, Ser144, Cys145, Gln189, Leu141, Ser144, His41, Thr26 Met49, His41, Pro168