Interaction of 6 Mercaptopurine with Calf Thymus DNA – Deciphering the Binding Mode and Photoinduced DNA Damage
Figure 9
Molecular docked structure of 6MP complex with DNA.
Dodecamer duplex sequence (CGCGAATTCGCG)2 (PDB ID: 1BNA) was used in the docking studies. The binding energy of the complex system was found to be −116.97 kJ/mole.