DFT Calculations and Molecular Docking Studies on a Chromene Derivative

Figure 13

Best poses of the Chrom-D ligand in selected AChE enzymes along with ligand/enzyme interactions in 2D diagrams. (a) 1B41-Chrom-D. (b) 1EVE-Chrom-D. (c) 1BDT-Chrom-D.

(a)

(b)

(c)