FIGURE 4

(A–I) Protein-ligand interaction plots of the bound reference ligand (compound 41a) and the top eight ranked stereoisomers of catechin derivatives with wild-type EGFR. The amino acid residues forming hydrophobic interactions are shown as comb-like structures with bristles. The interacting residues in common with those of the bound reference ligand are encircled. The ligand and the residues forming hydrogen bonding interactions are shown as ball-and-stick representations. The color of the balls distinguishes various atom types: the black balls represent carbon atoms, the red balls represent oxygen atoms, the blue balls represent nitrogen atoms, the yellow balls represent sulfur atoms, and the green balls represent fluorine atoms. The hydrogen bonds are shown as green dashed lines labeled with bond lengths (in Å).