Prospecting for Novel Plant-Derived Molecules of Rauvolfia serpentina as Inhibitors of Aldose Reductase, a Potent Drug Target for Diabetes and Its Complications
(A) Three best PDMs, RASE0048 (red), RASE0049 (green), and RASE0143 (blue), docked in the binding site of AR, were visualized as cartoons displaying the catalytic center. 2D interaction plots of docked molecules into the binding site: (B) RASE0048, (C) RASE0049, and (D) RASE0143. Dotted green lines represent hydrogen bonds with constraints, while red spoked arcs represent residues making hydrophobic contacts with ligand. Red circles and ellipses indicate protein residues that are in equivalent 3D positions.