Electrostatic components of drug-receptor recognition. I. Structural and sequence analogues of DNA polynucleotides

Proceedings of the Royal Society of London. Series B, Containing Papers of a Biological Character
P M Dean, L P Wakelin

Abstract

The electrostatic fields associated with the important biological receptor DNA have been studied by means of stereoscopic displays to investigate drug-receptor recognition processes. This revealed great differences between A- and B-type structures and enabled significant nucleotide sequence effects to be detected for the latter helix. These variations were further investigated by topological analysis of the surface potential in the two grooves of the B-DNA duplex at different radii from the helix axis. This made it possible to characterize the potential surface and to allocate curvature changes to specific atomic groupings. A general finding was that larger potential fields were found in the space encompassed by the narrow groove with strong potential gradients from the ends of the helix to the centre in both grooves. This gradient may provide a motive force for translating small molecules on the surface of a polynucleotide.

References

Dec 7, 1979·Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences·P M Dean, L P Wakelin
Oct 1, 1978·The Journal of Experimental Medicine·P P JonesH O McDevitt
Oct 15, 1980·Proceedings of the Royal Society of London. Series B, Containing Papers of a Biological Character·P M Dean, L P Wakelin

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Citations

May 26, 2005·Bioelectrochemistry·S H MinasyanP O Vardevanyan
Jun 1, 1982·Proceedings of the National Academy of Sciences of the United States of America·P K WeinerP A Kollman
Jun 1, 1987·Xenobiotica; the Fate of Foreign Compounds in Biological Systems·D F Lewis, V S Griffiths
Dec 1, 1993·Journal of Molecular Recognition : JMR·G Náray-Szabó
Sep 1, 1981·British Journal of Pharmacology·P M Dean
Jun 1, 1984·Journal of Biomolecular Structure & Dynamics·N PattabiramanP A Kollman

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