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Literature DB >> 18457389

Structural basis of DNA quadruplex recognition by an acridine drug.

Nancy H Campbell¹, Gary N Parkinson, Anthony P Reszka, Stephen Neidle.

Abstract

The crystal structure of a complex between the bimolecular human telomeric quadruplex d(TAGGGTTAGGGT)2 and the experimental anticancer drug BRACO-19, has been determined, to 2.5 A resolution. The binding site for the BRACO-19 molecule is at the interface of two parallel-folded quadruplexes, sandwiched between a G-tetrad surface and a TATA tetrad, and held in the site by networks of water molecules. The structure rationalizes the existing structure-activity data and provides a starting-point for the structure-based design of quadruplex-binding ligands

Entities: Chemical Species

Mesh：

Substances：
Acridines
DNA
BRACO-19

Year: 2008 PMID： 18457389 DOI： 10.1021/ja8016973

Source DB: PubMed Journal: J Am Chem Soc ISSN： 0002-7863 Impact factor: 15.419

Keyword Cloud
Cited

59 in total

1. Solution structure of a 2:1 quindoline-c-MYC G-quadruplex: insights into G-quadruplex-interactive small molecule drug design.

Authors: Jixun Dai; Megan Carver; Laurence H Hurley; Danzhou Yang
Journal: J Am Chem Soc Date: 2011-10-14 Impact factor: 15.419

10. Molecular dynamics simulations and coupled nucleotide substitution experiments indicate the nature of A{middle dot}A base pairing and a putative structure of the coralyne-induced homo-adenine duplex.

Authors: In Suk Joung; Ozgül Persil Cetinkol; Nicholas V Hud; Thomas E Cheatham
Journal: Nucleic Acids Res Date: 2009-12 Impact factor: 16.971

Structural basis of DNA quadruplex recognition by an acridine drug.

1. Solution structure of a 2:1 quindoline-c-MYC G-quadruplex: insights into G-quadruplex-interactive small molecule drug design.

2. Molecular dynamics studies of the 3D structure and planar ligand binding of a quadruplex dimer.

3. Overlapping but distinct: a new model for G-quadruplex biochemical specificity.

4. Rational design of substituted diarylureas: a scaffold for binding to G-quadruplex motifs.

Review 5. Biomolecularmodeling and simulation: a field coming of age.

6. Visualization of long human telomere mimics by single-molecule fluorescence imaging.

7. Single molecule force spectroscopy on G-quadruplex DNA.

8. G-quadruplex nucleic acids as therapeutic targets.

9. Synthesis and g-quadruplex-binding properties of defined acridine oligomers.

10. Molecular dynamics simulations and coupled nucleotide substitution experiments indicate the nature of A{middle dot}A base pairing and a putative structure of the coralyne-induced homo-adenine duplex.