Journal
ACS MEDICINAL CHEMISTRY LETTERS
Volume 9, Issue 8, Pages 848-853Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsmedchemlett.8b00275
Keywords
G-quadruplex; c-myc; c-Kit; drug design; virtual screening
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Funding
- Italian Ministry of Education [FIRB-IDEAS RBID082ATK]
- University of Padova [CPDA147272/14, CPDR151901]
- Commissione Europea, Fondo Sociale Europeo e della Regione Calabria (POR Calabria) [FSE 1007-2013 HEMMAS]
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In the last years, it has been shown that the DNA secondary structure known as G-quadruplex is also involved in the regulation of oncogenes transcription, such as c-myc, c-Kit, KRAS, Bcl-2, VEGF, and PDGF. DNA G-quadruplexes, formed in the promoter region of these proto-oncogenes, are considered alternative anticancer targets since their stabilization causes a reduction of the related oncoprotein overexpression. In this study, a structure-based virtual screening toward the experimental DNA G-quadruplex structures of c-myc and c-Kit was performed by using Glide for the docking analysis of a commercial library of approximately 693 000 compounds. The best hits were submitted to thermodynamic and biophysical studies, highlighting the effective stabilization of both G-quadruplex oncogene promoter structures for three N-(4-piperidinylmethyl)amine derivatives, thus proposed as a new class of dual G-quadruplex binders.
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