Experimental DNA-binding and computer modelling studies on an analogue of the anti-tumor drug amsacrine
| Autor: | Agbandje M, Z. H. L. Abraham, Stephen Neidle, Acheson Rm |
|---|---|
| Rok vydání: | 1988 |
| Předmět: |
Amsacrine
Models Molecular Stereochemistry Intercalation (chemistry) General Medicine DNA Nucleic Acid Denaturation Intercalating Agents chemistry.chemical_compound chemistry Structural Biology Anti tumor drug medicine Animals Nucleic Acid Conformation Computer modelling Cattle Computer Simulation Cytotoxicity Molecular Biology Minor groove medicine.drug |
| Zdroj: | Journal of biomolecular structuredynamics. 6(3) |
| ISSN: | 0739-1102 |
| Popis: | The DNA-binding properties of the anti-cancer drug amsacrine and a 9-aminoacridine analogue substituted at the 4 position with a 4-methanesulphonanilido-group, have been examined by means of unwinding, melting and equilibrium binding experiments. These find that the latter compound is at least as effective as a DNA-binder and intercalator as amsacrine itself. Molecular modelling and energetic calculations have confirmed this, and have produced plausible intercalation geometries. These show that there are subtle differences in the low-energy minor groove arrangements adopted by the substituents of the two drugs. Speculation is advanced that these differences may be relevant to the marked differences in cytotoxicity shown by the two compounds. |
| Databáze: | OpenAIRE |
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