| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5418596 | Journal of Molecular Structure: THEOCHEM | 2007 | 6 Pages |
Abstract
New classes of pyrrolopyrimidodiazepinone derivatives (PPDs) and their precursors were studied in silico for their ability to form stable complex with DNA fragment. In the docking studies two binding modes can be envisaged: groove mode and intercalating mode. In the case of the best ligands the docking studies revealed a common binding mode with the chromophore intercalated between GC base pairs whereas the side chain lies close to the minor groove. Synthetic approach to the PPD ring systems is discussed.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Antonino Lauria, Chiara Patella, Mario Ippolito, Anna Maria Almerico,