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

<div>Receptor-ligand interaction based pharmacophore model with five chemical features represented in spheres illustrated in different colors such as green (HBA), magenta (HBD), brown (RA and PI), cyan (HY), and 23 exclusion volumes (grey spheres). The zoomed view of the pharmacophore model has been shown in the right side with less exclusion spheres present in 1.1 Å distance for clarity.</div>

Journal of Chemistry

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Figure 8

Figure 8: Binding Mode Investigation of Polyphenols from <i>Scrophularia</i> Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 

Figure 8 | Binding Mode Investigation of Polyphenols from Scrophularia Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 