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Molecular docking simulation of DK-139 into the ATP-binding pocket of Akt. (A) LigPlot analysis. The residues forming hydrogen bonds and hydrophobic interactions with isobavachalcone (left) and DK-139 (right). Red circles denote identical residues interacting with isobavachalcone and with DK139. (B) The 3D structural model of the binding site of isobavachalcone (left) and DK-139 (right) docked to the ATP-binding site of Akt protein, viewed in PyMOL program.
