Studies on the anticancer drug mitoxantrone-DNA-sodium dodecyl sulfate system

The values of the total binding free energies show that the interaction of (mitoxantrone-DNA)complex with SDS is favored in the presence of low DNA concentration (− 15.96 kcal/mol), when drug molecules are electrostatically bound to DNA, than in the presence of high DNA concentration (− 10.62 kcal/mol) when drug molecules are intercalated between base pairs of DNA. This difference in the total binding free energies can be attributed to the cost of the deintercalation process of mitoxantrone from DNA.