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. 2015 Oct 9;6(36):38934–38951. doi: 10.18632/oncotarget.5380

Figure 7. Docking modes and binding energies of shikonin, its derivatives, 10058-F4 and 10074-G5 on MYC/MAX complex (PDB code: 1NKP).

Figure 7

The proteins were represented in yellow (MYC) and brown (MAX) in New Cartoon format, while the chemical molecules were represented in different colors. Shikonin preferentially bound to the same pharmacophore as the control drug 10058-F4, while the other derivatives docked to the same domain as the second control drug 10074-G5. Both binding sites were in close proximity to the DNA binding region of MYC/MAX complex.