DNAreceptor recognition

Abstract

The electrostatic fields associated with the important biological receptor DNA were studied using 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 investigated by topological analysis of the surface potential in the 2 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 fromthe ends of the helix to the center in both grooves. This gradient may provide a motive force for translating small molecules on the surface of a polynucleotide.