Table 3.
Docking results of Dex and the energy of interaction with the active site of the receptors.
Receptor | Glide Gscore | Dock score | ΔGbind (kcal/mol) | (No) of H-bonds within 2.5 Å |
---|---|---|---|---|
Glucocorticoid | −14.3 | −14.3 | −147.48 | (5) ASN564 (2 bonds), THR739, GLN642, ARG611 |
Mpro | −6.7 | −6.7 | −66.45 | (3) ASN142, GLU166, CYS44 |
IL-6 | −3.6 | −3.6 | −53.03 | (3) GLN175, ASP34, LEU33 |