Theoretical studies of the selective binding to DNA of two non-intercalating ligands: netropsin and SN 18071
Open Access
- 1 January 1983
- journal article
- Published by Oxford University Press (OUP) in Nucleic Acids Research
- Vol. 11 (24), 8825-8839
- https://doi.org/10.1093/nar/11.24.8825
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 positionning 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.Keywords
This publication has 12 references indexed in Scilit:
- Calorimetric and spectroscoptc Investigation of drug - DNA Interactions. I. The binding of netropsin to poly d(AT)Nucleic Acids Research, 1983
- Antibiotic-DNA interactions: intermolecular nuclear Overhauser effects in the netropsin-d(C-G-C-G-A-A-T-T-C-G-C-G) complex in solution.Proceedings of the National Academy of Sciences, 1982
- The effects of countercation screening on the electrostatic potential of DNAFEBS Letters, 1982
- Specific interaction of netropsin, distamycin-3 and analogs with I.C duplexes: reversion towards the B form of the 2′-deoxy-.2′-deoxy-2′-fluoro- hybrid duplexes upon specific interaction with netropsin, distamydn-3 and analogsNucleic Acids Research, 1982
- Differential stabilization by netropsin of inducible B-like conformations in deoxyribo-, ribo- and 2′-deoxy-2′-fluororibo-adenosine containing duplexes of (dA)n(dT)nand (dA)n(dU)nNucleic Acids Research, 1982
- Magnetic circular dichroism study of the binding of netropsin and distamycin-A with DNABiochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis, 1980
- Left-handed DNA helicesNature, 1980
- Protection of (dA·dT) cluster regions in the DNAsse I cleavage of DNA by specific intetaction with netropsinNucleic Acids Research, 1980
- Netropsin, a DNA-binding oligopeptide structural and binding studiesBiochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis, 1979
- Effects of the Antibiotics Netropsin and Distamycin A on the Structure and Function of Nucleic AcidsProgress in Nucleic Acid Research and Molecular Biology, 1975