A series of new anthracene-propargylamine derivatives were obtained through an efficient synthesis based on the A3 coupling reaction. This set of planar molecules were designed to bind double stranded and G-quadruplex DNA arrangements. Their interaction pattern of the small molecules with DNA was predicted by molecular docking and their theoretical pharmacokinetic properties were calculated, giving encouraging results in terms of drug-likeness. The general preference for double stranded DNA suggested by docking experiments was supported by a set of electrospray ionization mass spectrometry (ESI-MS) experiments.
Synthesis via A3 Coupling Reaction of Anthracene-Propargylamine as a New Scaffold for the Interaction with DNA
Ongaro A.;Zagotto G.;
2019
Abstract
A series of new anthracene-propargylamine derivatives were obtained through an efficient synthesis based on the A3 coupling reaction. This set of planar molecules were designed to bind double stranded and G-quadruplex DNA arrangements. Their interaction pattern of the small molecules with DNA was predicted by molecular docking and their theoretical pharmacokinetic properties were calculated, giving encouraging results in terms of drug-likeness. The general preference for double stranded DNA suggested by docking experiments was supported by a set of electrospray ionization mass spectrometry (ESI-MS) experiments.File in questo prodotto:
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