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The binding of nonintercalative drugs to alternating DNA sequences

F Gago, CA Reynolds and WG Richards

Physical Chemistry Department, Oxford University, United Kingdom.

Molecular mechanics methods have been applied to suggest possible models for netropsin and related compounds binding to two different sequences of DNA, namely poly[d(AT)].poly[d(AT)] and poly[d(GC)].poly[d(GC)], and to evaluate the different contributions to the binding affinities of these compounds in the ethidium displacement assay. The geometries found after energy refinement suggest that one of the reasons for the selectivity of binding of these agents to A + T- rich DNA regions could be the different widths of the minor groove of the double strand of DNA found in the complexes of these drugs with both DNA sequences.

Volume 35, Issue 2, pp. 232-241, 02/01/1989
Copyright © 1989 by American Society for Pharmacology and Experimental Therapeutics






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Copyright © 1989 by the American Society for Pharmacology and Experimental Therapeutics