Ligand interaction diagram of lead compounds with AR (PDB ID: 4GCA).

(A) AR-gingerenone A complex (B) AR-gingerenone B complex (C) AR-gingerenone C complex (D) AR-calebin A complex (E) AR-lariciresinol complex (F) AR-quercetin complex. Colored circles indicate amino acids that interact with the bound ligand. Negatively charged amino acids are represented with red circles, positively charged amino acids are represented with dark blue circles, polar amino acids are represented with light blue circles and hydrophobic amino acids are represented with green circles. Hydrogen bonds are represented with purple arrows–dashed arrows for hydrogen bonds involving amino acid side chain and regular arrows for hydrogen bonds involving amino acid backbone. π–π interactions are shown with green lines.