ZFIN Image: Wu et al., 2025, Figure 8

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Figure Caption

Figure 8

Molecular dynamics simulation results. (A) The free energy landscape map of cyanidin derivatives. (B) Structural changes of the AChE-cyanidin derivatives complex at different time points. The colors red, green, blue, yellow, and orange, respectively, represent the structural comparisons of molecular dynamics simulations at 0, 25, 50, 75, and 100 ns. (C) Free energy of cyanidin derivatives binding to AChE calculated by MM/GBSA method. VDWAALS, EEL, EGB, ESURF, GGAS, GSOLV, and TOTAL represent van der Waals forces, electrostatic potential energy, polar solvation energy, nonpolar solvation energy, molecular mechanics term, solvation energy term, and binding free energy, respectively.

Acknowledgments

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