Research Article

Molecular Docking Study Characterization of Rare Flavonoids at the Nac-Binding Site of the First Bromodomain of BRD4 (BRD4 BD1)

Figure 8

Emphasized image shows the binding interaction of 3-O-acetylpinobanksin at N-acetyl-lysine binding site of BD1 domain of BRD4 family protein. Image generated using Accelrys’ discovery studio 4.0 [25]. (a) Secondary structure showing the ligand at the WPF shelf with surface around cavity. (b) The cavity area is shown as a transparent surface with ligand. (c) The emphasized image showing the H-bond interaction (dark blue lines) and hydrophobic interaction (sky blue cylindrical lines) of amino acid residues [shown as sticks (0.20 Å) and lines, resp.] with the ligands.