Table 5.
Compound | Binding Energy (Kcal/mol) | Ki (mM) | Interacting Residues | Interaction Types |
---|---|---|---|---|
Galantamine | −5.8 | 0.056 | TYR341, ARG269 | H-Bonding |
Quercetin | −8.3 | 0.000824 | TYR341, TRP286, SER293, TYR124, TYR72 | H-Bonding, π-π Stacked, van der Waals |
m-Coumaric acid | −5.7 | 0.066 | LEU540, PRO537, LEU536, ASN533 | H-bonding, π-Alkyl |
Gallic acid | −5.4 | 0.11 | TYR341, SER293 | H-Bonding |
Sinapic acid | −5.3 | 0.13 | ASP349, SER347, GLY345, VAL343, GLY342 | H-bonding |