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Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.

Abstract：

:G-quadruplexes (G4s) are noncanonical DNA structures that frequently occur in the promoter regions of oncogenes, such as MYC, and regulate gene expression. Although G4s are attractive therapeutic targets, ligands capable of discriminating between different G4 structures are rare. Here, we describe DC-34, a small molecule that potently downregulates MYC transcription in cancer cells by a G4-dependent mechanism. Inhibition by DC-34 is significantly greater for MYC than other G4-driven genes. We use chemical, biophysical, biological, and structural studies to demonstrate a molecular rationale for the recognition of the MYC G4. We solve the structure of the MYC G4 in complex with DC-34 by NMR spectroscopy and illustrate specific contacts responsible for affinity and selectivity. Modification of DC-34 reveals features required for G4 affinity, biological activity, and validates the derived NMR structure. This work advances the design of quadruplex-interacting small molecules to control gene expression in therapeutic areas such as cancer.

journal_name

Nat Commun

journal_title

Nature communications

authors

Calabrese DR,Chen X,Leon EC,Gaikwad SM,Phyo Z,Hewitt WM,Alden S,Hilimire TA,He F,Michalowski AM,Simmons JK,Saunders LB,Zhang S,Connors D,Walters KJ,Mock BA,Schneekloth JS Jr

doi

10.1038/s41467-018-06315-w

subject

Has Abstract

pub_date

2018-10-12 00:00:00

pages

4229

issue

1

issn

2041-1723

pii

10.1038/s41467-018-06315-w

journal_volume

9

pub_type

杂志文章

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