Molecular modelling studies on the non-covalent intercalative interactions between DNA and the enantiomers of anti-benzo[a]pyrene 7,8-diol-9,10-epoxide.
The non-covalent intercalative interactions between a deoxydinucleoside model for DNA and the enantiomers of anti-benzo[a]pyrene diol-epoxide, have been studied by molecular mechanics and computer graphics methods. Stereoselective differences between major and minor groove sites, and between the enantiomers have been found in terms of attractive close contacts.
D015123:7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide; D001580:Benzopyrenes; D002273:Carcinogens; D003201:Computers; D004247:DNA; D007536:Isomerism; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D013329:Structure-Activity Relationship
D001580:Benzopyrenes; D002273:Carcinogens; D015123:7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide; D004247:DNA