Binding Mode Investigation of Polyphenols from <i>Scrophularia</i> Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations

<div>2D diagram representing the orientation of pharmacophore model derived from acacetin-ALR2 complex with green spheres (HBA), magenta spheres (HBD), brown spheres (RA and PI), and cyan sphere (HY) interaction, the key residues in the receptor.</div>

Journal of Chemistry

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Figure 9

Figure 9: Binding Mode Investigation of Polyphenols from <i>Scrophularia</i> Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 

Figure 9 | Binding Mode Investigation of Polyphenols from Scrophularia Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 