Fluorescent α-Anomeric 1,N(6)Etheno- Deoxyadenosine in DNA Duplexes. the α-εdA / dG Pair |
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| Authors: | L Bielecki B Skalski I Zagórowska R E Verrall R W Adamiak |
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| Institution: | 1. Institute ofBioorganic Chemistry, Polish Academy of Sciences , Pozna? , Poland;2. Faculty of Chemistry , Adam Mickiewicz University , Pozna? , Poland;3. Department of Chemistry , University of Saskatchewan , 110 Science Place, Saskatoon , Saskatchewan , S7N 5C9 , Canada |
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| Abstract: | Abstract Structural properties of the fluorescent α-anomeric 1,N(6)ethenodeoxyadenosine residue placed in opposition to all four canonical deoxynucleotide units within 11-mer DNA duplexes have been studied. The duplex with α-εedA / dG pairing is most thermodynamically stable while the α-edA / dC one is the least stable. Fluorescence measurements confirm the thermodynamic data and indicate base-pair dependent stacking properties of α-edA within duplex structures. Results of molecular dynamics (MD) simulations in aqueous solution for the most stable duplex point to the presence of different conformational states of the α-1,N(6)etheno-deoxyadenosine residue, including formation of a hydrogen bonded pair with the dG and possible occurrence of severe kinking in the duplex. |
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