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. 2016 Mar 2;6:21779. doi: 10.1038/srep21779

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(a) Overlaying of best docked poses inside the pocket. Ligands and key residues are shown by stick mode, in cyan and green color respectively. Oxygen atoms are shown in red color. (b–e) Docking poses of 4b and 6a in 3D space, molecules are shown in cyan color (stick mode) and receptor is shown in yellow ribbons and cartoons. π-H interactions are represented by red dashed lines. Interaction of oxygen atom of ligand with Cu ion is shown in green colored solid line. (b) π-H interactions of 4b with His85, Val283 and His263 (c) Interaction of ligand 4b with Cu ion, shown in green colored solid line. (d) π-H interactions of 6a with His85 and His263 and Val283. (e) Interaction of oxygen atom of ligand 6a with Cu ion, shown in green colored solid line.