Docking and synthesis of pyrrolopyrimidodiazepinone derivatives (PPDs) and their precursors: new scaffolds for DNA-interacting agents

Anna Maria Almerico, Antonino Lauria, Chiara Patella, Mario Ippolito

Risultato della ricerca: Articlepeer review

5 Citazioni (Scopus)

Abstract

New classes of pyrrolopyrimidodiazepinone derivatives (PPDs) and their precursors were studied in silico for their ability to formstable 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 basepairs whereas the side chain lies close to the minor groove. Synthetic approach to the PPD ring systems is discussed
Lingua originaleEnglish
pagine (da-a)26-31
Numero di pagine6
RivistaJOURNAL OF MOLECULAR STRUCTURE. THEOCHEM
Volume819
Stato di pubblicazionePublished - 2007

All Science Journal Classification (ASJC) codes

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  • ???subjectarea.asjc.3100.3104???
  • ???subjectarea.asjc.1600.1606???

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