Journal
JOURNAL OF MEDICINAL CHEMISTRY
Volume 56, Issue 3, Pages 843-855Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jm3013486
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Funding
- Italian Ministry of Education [FIRB-IDEAS RBID082ATK]
- PRIN [2009MFRKZ8]
- AIRC (Associazione Italiana per la Ricerca sul Cancro)
- University of Padova [CPDA114388]
- Commissione Europea, Fondo Sociale Europeo e della Regione Calabria
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Nowadays, it has been demonstrated that DNA G-quadruplex arrangements are involved in cellular aging and cancer, thus boosting the discovery of selective binders for these DNA secondary structures. By taking advantage of available structural and biological information on these structures, we performed a high throughput in silico screening of commercially available molecules databases by merging ligand- and structure-based approaches by means of docking experiments. Compounds selected by the virtual screening procedure were then tested for their ability to interact with the human telomeric G-quadruplex folding by circular dichroism, fluorescence spectroscopy, and photodynamic techniques. Interestingly, our screening succeeded in retrieving a new promising scaffold for G-quadruplex binders characterized by a psoralen moiety.
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