The interaction of dimethyl-N-(benzoyl)amidophosphate (HCP) and dimethyl-N-(phenylsulfonyl)amidophosphate (HSP) compounds and C 60 fullerene with DNA was studied by use of molecular modeling. It was demonstrated that DNA-HCP complex is more stable as compared to the DNA-HSP one. The ability of C 60 fullerene to form a stable complex with minor groove of DNA was shown. Under combined action of 10 -5 M C 60 fullerene and 2.5 × 10 -4 M HCP the viability of leukemia L1210 cells was decreased by 37% in 24 h. The observed cytotoxic effect was intensified in 48 h. HSP compound alone as well as at combined action with C 60 fullerene showed no cytotoxic effect.