Table 5 Docking score and interacting residues between NF-kβ1 and selected ligands.
Target | Name of ligand | Docking score (kcal/mole) | Interacting amino acid | Nature of interaction |
|---|---|---|---|---|
NF-kβ1 | Ellagic Acid | − 29.14 | Lys147, Lys148 | Hydrogen Bond |
Tyr60, Thr146 | Hydrophobic | |||
Caffeic Acid | − 24.98 | Gly68, Arg57, Arg59 | Hydrogen Bond | |
Phe56, Phe58, His67, Val115, Gly141, Ile142 | Hydrophobic | |||
Rosmarinic Acid | − 24.39 | Lys52, Arg57 | Hydrogen Bond | |
Gly55, Phe56, Phe58, Arg59, His67, Gly68, Val115, Gly141, Ile142 | Hydrophobic | |||
Quercetin | − 22.76 | Val61, Gly68 | Hydrogen Bond | |
Phe56, Arg59, Gly64, Pro65, Val115, Gly141, Ile142, Leu143 | Hydrophobic | |||
Gallic acid | − 21.54 | Pro65, Gly68, Ile142 | Hydrogen Bond | |
Phe56, Arg59, His67, Val115, Gly141, Leu143 | Hydrophobic |
