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

Edmond Dik Lung MA*, Daniel Shiu Hin Chan, Wai Chung Fu, Hong Zhang He, Hui Yang, Siu Cheong Yan, Chung Hang Leung

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

42 Citations (Scopus)


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.

Original languageEnglish
Article numbere43278
JournalPLoS ONE
Issue number8
Publication statusPublished - 17 Aug 2012

Scopus Subject Areas

  • Biochemistry, Genetics and Molecular Biology(all)
  • Agricultural and Biological Sciences(all)
  • General


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