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

B. E. Hingerty, S. Broyde

Research output: Contribution to journalArticle

Abstract

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 ω', ω and ψ 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).

Original languageEnglish (US)
Pages (from-to)125-136
Number of pages12
JournalInternational Journal of Quantum Chemistry
Volume22
Issue number9 S
DOIs
StatePublished - 1982

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Base displacement in AAF and AF modified dCpdG: syn and anti Guanine'. Together they form a unique fingerprint.

  • Cite this