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. 2020 May 27;11:780. doi: 10.3389/fphar.2020.00780

Table 4.

Binding energies obtained from docking experiments of astilbin, isoastilbin, neoastilbin, neoisoastilbin, and the respective known enzyme inhibitors galantamine and zileuton over acetylcholinesterase (TcAChE) ( Supplementary Material, Figure S11 ), butyrylcholinesterase (hBuChE) ( Supplementary Material, Figure S12 ) and 5-lipoxygenase (5- hLOX) ( Supplementary Material, Figure S13 ).

Compound Binding energy (kcal/mol)
Acetylcholinesterase (TcAChE)
Binding energy (kcal/mol)
Butyrylcholinesterase (hBuChE)
Binding energy (kcal/mol)
5-lipoxygenase (5- hLOX)
Astilbin −8.92 −9.41 −3.61
Isoastilbin −8.59 −9.25 −1.17
Neoastilbin −9.78 −9.38 −1.3
Neoisoastilbin −10.37 −8.98 2.33
Galantamine −11.81 −9.5 -
Zileuton - - −7.25