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Issue 1, 2015
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Identification of a selective G-quadruplex DNA binder using a multistep virtual screening approach

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Abstract

To efficiently identify small molecules binding to a G-quadruplex structure while avoiding binding to duplex DNA, we performed a multistep structure-based virtual screening by simultaneously taking into account G-quadruplex DNA and duplex DNA. Among the 13 compounds selected, one outstanding ligand shows significant selectivity for G-quadruplex binding as determined using SPR, FRET-based competition and luciferase activity assay.

Graphical abstract: Identification of a selective G-quadruplex DNA binder using a multistep virtual screening approach

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The article was received on 03 Sep 2014, accepted on 30 Oct 2014 and first published on 03 Nov 2014


Article type: Communication
DOI: 10.1039/C4CC06951J
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Citation: Chem. Commun., 2015,51, 198-201
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    Identification of a selective G-quadruplex DNA binder using a multistep virtual screening approach

    J. Hou, S. Chen, L. Zan, T. Ou, J. Tan, L. G. Luyt and Z. Huang, Chem. Commun., 2015, 51, 198
    DOI: 10.1039/C4CC06951J

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