Base displacement in AAF and AF modified dCpdG: syn and anti guanine

Conference · Fri Jan 01 04:00:00 EST 1982

OSTI ID:5589691

Hingerty, B E; Broyde, S

Minimized conformational potential-energy calculations have been performed for the major adduct of N-2-acetylaminofluorene (AAF) and aminofluorene (AF) with dCpdG. The DNA backbone conformations that produce base displacement, about which no information was previously available, were ascertained. For the AAF adduct, five different combinations of the DNA backbone torsions ..omega..', ..omega.., and psi produce low-energy conformers in which the fluorene is coplanar with cytidine, and the guanine is syn and twisted nearly perpendicular to the AAF. For the deacetylated AF adduct, three additional backbone types yielded fluorene-cytidine stacked conformers. In these conformers the guanine was anti. The various modes of achieving base-displacement may occur under differing circumstances, such as extent of modification, base sequence, salt concentration, and the nature of the adduct (acetylated or deacetylated).

• Research Organization: Oak Ridge National Lab., TN (USA)
• DOE Contract Number: W-7405-ENG-26
• OSTI ID: 5589691
• Report Number(s): CONF-820330-1; ON: DE82008841
• Country of Publication: United States
• Language: English

Related Subjects

550200* -- Biochemistry
59 BASIC BIOLOGICAL SCIENCES
ADDUCTS
AROMATICS
BINDING ENERGY
CARCINOGENS
CHEMICAL BONDS
CONDENSED AROMATICS
COVALENCE
DNA
ENERGY
FLUORENE
HYDROCARBONS
MOLECULAR STRUCTURE
NUCLEIC ACIDS
NUCLEOSIDES
NUCLEOTIDES
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
POTENTIAL ENERGY
RIBOSIDES