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. 2019 May 21;55(5):184. doi: 10.3390/medicina55050184

Table 5.

Parameters of binding simulation against AChE.

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