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

Figure 9

The superimposed comparison of the protein-ligand complexes after 25, 50, 75, and 100 ns simulation time: (a) acetylcholinesterase_quercetin, (b) acetylcholinesterase_myricetin, (c) butyrylcholinesterase_α-amyrin, and (d) butyrylcholinesterase_β-chlorogenin complexes. The structures obtained at 25 ns, 50 ns, 75 ns, and 100 ns are color-coded as paste, pink, yellow, and amber, respectively. This color scheme allows for an easy distinction and observation of any conformational changes or shifts in the protein-ligand complexes over the course of the simulation.

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