Molecular models for the interaction of the anti-tumour drug nogalamycin with DNA.
Computer graphics and non-bonded energy calculations have been used to model the intercalative binding of the anti-tumour antibiotic nogalamycin, to double-stranded DNA. The drug is predicted to bind preferentially to A-T rich sites. Specific hydrogen bonds to the exocyclic amino group of adenine bases on the 3' side of an intercalative site have been found by the modelling procedure.
D004247:DNA; D003630:Daunorubicin / Q000031:analogs & derivatives; D007364:Intercalating Agents; D008958:Models, Molecular; D009621:Nogalamycin / Q000494:pharmacology; D009690:Nucleic Acid Conformation; D013329:Structure-Activity Relationship; D013816:Thermodynamics
D007364:Intercalating Agents; D004247:DNA; D009621:Nogalamycin; D003630:Daunorubicin