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

Figure 5

Analysis of the structural changes of protein-ligand complexes during 100 ns MD simulation runtime. Here, (a) root mean square deviations (RMSD), (b) hydrogen bond, (c) radius of gyration, and (d) solvent accessible surface area (SASA). Here, black, red, green, and blue lines denote acetylcholinesterase_quercetin, acetylcholinesterase_myricetin, butyrylcholinesterase_α-amyrin, and butyrylcholinesterase_β-chlorogenin complexes, respectively. Each analysis technique characterized the structural changes and differences among the various protein complexes studied.

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