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Table 1 Summary of docking analysis for donepezil and vitexin by using AutoDockTools software

From: Insights from molecular docking and molecular dynamics on the potential of vitexin as an antagonist candidate against lipopolysaccharide (LPS) for microglial activation in neuroinflammation

Ligand

RMSD

(Ã…)

Binding Energy (kcal/mol)

Inhibition Constant, Ki

Intermolecular Energy (kcal/mol)

Electrostatic Energy (kcal/mol)

Internal Energy (kcal/mol)

Torsion Free Energy (kcal/mol)

Unbound System’s Energy (kcal/mol)

Donepezil

37.35

−9.14

198.79 nM

−10.93

−0.27

− 0.89

1.79

− 0.89

Vitexin

35.59

−4.35

647.72 μM

−7.33

−0.02

−3.71

2.98

−3.71