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. 1983 Dec 20;11(24):8825–8839. doi: 10.1093/nar/11.24.8825

Theoretical studies of the selective binding to DNA of two non-intercalating ligands: netropsin and SN 18071.

K Zakrzewska, R Lavery, B Pullman
PMCID: PMC326627  PMID: 6324104

Abstract

A theoretical study of the binding to DNA of netropsin and a bisquaternary ammonium heterocycle, SN 18071, is undertaken with an energy minimizing program based on empirical potential functions. The positioning of the ligand is achieved by force and torque calculations and its internal flexibility is taken into account. The binding preference of both drugs studied for the AT minor groove of B-DNA is shown to depend on both the electrostatic potential generated by the base sequence and the quality of the steric fit of the ligand in the groove. Ligand-DNA hydrogen bonds are shown to aid binding, but not to be essential in establishing binding preferences.

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Selected References

These references are in PubMed. This may not be the complete list of references from this article.

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