Table 1. Best Binding Energy Values (kcal/mol) and Binding Features of the Best-Docked Pose of the Ligand–Receptor Complex.

protein	binding energies (kcal/mol)	binding features
Keap-1	–10.4	Ser363, Gly364, Leu365, Ser383, Asn414, Arg415, Ile416, Gly509, Leu557
CRP	–7.9	Ser44, Tyr49, Trp67, Val86, Thr90, Ala92, Val94, val111, Arg116
TNF-α	–8.7	Leu57, Tyr59, Gly121, Tyr151
IL-1β	–8.2	Ala1, Pro2, Ser5, Ser43, Lys63, Glu64, Tyr68, Lys88, Pro91, Ser153
IL-6	–6.6	Arg30, Leu33, Ser37, Gln175, Arg179, Arg182