Unveiling Neuroprotective Potential of Spice Plant-Derived Compounds against Alzheimer’s Disease: Insights from Computational Studies

Figure 7

The binding free energy (kJ/mol) of each complex was determined through a 100 ns molecular dynamic simulation based on MM-PBSA, showing the change in binding stability of each complex throughout the simulation. Here, light green, orange, blue, and pink lines denote quercetin_acetylcholinesterase, myricetin_acetylcholinesterase, α-amyrin_butyrylcholinesterase, and β-chlorogenin_butyrylcholinesterase complexes, respectively.