Molecular modeling of the interaction between dietary flavones and EZH2.

Abstract

<p>(A) 3-Deazaneplanocin A (in sticks) docked into the active pocket of EZH2 (shown as surface), (B) Apigenin, (C) Chrysin, and (D) Luteolin (Left panel). Schematic representation of different non-bonded interactions between ligand and amino acid residues of EZH2 is shown in the right panel. The pink arrow represents a hydrogen bond and amino acids are colored according to their chemical characteristics. The Glide scores for docking of DZNep, Apigenin, Luteolin, and Chrysin were -7.62 Kcal/mol, -10.07 Kcal/mol, -9.73 Kcal/mol, and -11.23 Kcal/mol, respectively. Details are described in the Materials and Methods section.</p