Substituent position dictates the intercalative DNA-binding mode for anthracene-9,10-dione antitumor drugs

Molecular modeling studies have revealed that anthracene-9,10-dione derivatives placed at certain substituent positions intercalate with DNA. The studies have also shown the possibility of constructing intercalators with approximating binding constants but with varied binding kinetics. Further observations also verify that the binding modes for the anthracene-9,10-diones involve threading-type and classical DNA intercalation.