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

<div>Interaction analysis of hydroxybenzoic acid derivatives docked with ALR2. Binding pose of protocatechuic acid (a) and gallic acid (b). The amino acid residues (in 1 Å distance) were represented in atom types and the hydrogen bonds were denoted in green spheres along with the distance.</div>

Journal of Chemistry

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Figure 4

Figure 4: Binding Mode Investigation of Polyphenols from <i>Scrophularia</i> Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 

Figure 4 | Binding Mode Investigation of Polyphenols from Scrophularia Targeting Human Aldose Reductase Using Molecular Docking and Molecular Dynamics Simulations 