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. 2023 Apr 30;19(4):358–361. doi: 10.6026/97320630019358

Table 2. Docking results of the proposed compound against 6lu7 main protease of SARS-CoV-2.

Targe protein Binding Energy (kcal/mol) Inhibition Constant (µM) Type of interaction Interacting Residues Bond Distance (Å)
6lu7 − 9.36 0.00137 Hydrogen Bond His164 2.83
Hydrogen Bond Ser144 2.92
Hydrogen Bond Leu141 2.73
pi-donor hydrogen bond His163 3.41
pi-donor hydrogen bond Alkyl Cys145 3.7
Alkyl Met165 3.89
Pro168 4.06