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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
(Å)
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