Electrostatic potential and binding of drugs to the minor groove of DNA
β Scribed by Jane M. Burridge; Peter Quarendon; Christopher A. Reynolds; Peter J. Goodford
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 263 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0263-7855
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## Abstract A continuum solvent model based on the generalized Born (GB) or finiteβdifference PoissonβBoltzmann (FDPB) approaches has been employed to compare the binding of 4β²β6βdiamidineβ2βphenyl indole (DAPI) to the minor groove of various DNA sequences. Qualitative agreement between the results
The effect of the polyamide ImPyPy-Dp (Im = N-methylimidazole-2-carboxamide, Py = N-methylpyrrole-2-carboxamide, and Dp = dimethylaminopropylamide), which binds as an antiparallel dimer in the Watson-Crick minor groove, on pyrimidine. purine.pyrimidine triple helix stability was investigated. A DNA