http://dx.doi.org/10.1371/journal.pone.0043278">
 

Document Type

Journal Article

Department/Unit

Department of Chemistry

Title

Discovery of a natural product-like c-myc G-quadruplex DNA groove-binder by molecular docking

Language

English

Abstract

The natural product-like carbamide (1) has been identified as a stabilizer of the c-myc G-quadruplex through high-throughput virtual screening. NMR and molecular modeling experiments revealed a groove-binding mode for 1. The biological activity of 1 against the c-myc G-quadruplex was confirmed by its ability to inhibit Taq polymerase-mediated DNA extension and c-myc expression in vitro, demonstrating that 1 is able to control c-myc gene expression at the transcriptional level presumably through the stabilization of the c-myc promoter G-quadruplex. Furthermore, the interaction between carbamide analogues and the c-myc G-quadruplex was also investigated by in vitro experiments in order to generate a brief structure-activity relationship (SAR) for the observed potency of carbamide 1. © 2012 Ma et al.

Publication Date

2012

Source Publication Title

PLoS ONE

Volume

7

Issue

8

Publisher

Public Library of Science

ISSN (print)

19326203

ISSN (electronic)

19326203

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