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Related Experiment Videos

Structure of a G-quadruplex-ligand complex.

Shozeb M Haider1, Gary N Parkinson, Stephen Neidle

  • 1Cancer Research UK Biomolecular Structure Group, The School of Pharmacy, University of London, 29-39 Brunswick Square, WC1N 1AX, London, UK.

Journal of Molecular Biology
|January 28, 2003
PubMed
Summary

Stabilizing telomeric G-quadruplex DNA with selective ligands inhibits telomerase. Crystal structure reveals an acridine compound binding within thymine loops, elucidating ligand-quadruplex recognition for potential therapeutic strategies.

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Alternative Approach to Sequence-Specific Recognition of DNA: Cooperative Stacking of Dication Dimers─Sensitivity to Compound Curvature, Aromatic Structure, and DNA Sequence.

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Area of Science:

  • Biochemistry
  • Structural Biology
  • Molecular Biology

Background:

  • Telomeric G-quadruplexes are crucial DNA structures.
  • Telomerase enzyme synthesizes telomeric DNA repeats.
  • Inhibiting telomerase is a therapeutic strategy for diseases like cancer.

Purpose of the Study:

  • To understand the molecular basis of ligand-quadruplex recognition.
  • To investigate the binding of quadruplex-selective ligands to telomeric G-quadruplexes.
  • To provide insights for developing novel telomerase inhibitors.

Main Methods:

  • X-ray crystallography at 1.75Å resolution.
  • Complex formation between Oxytricha nova telomeric DNA and a di-substituted aminoalkylamido acridine.
  • 2ns molecular dynamics simulation.

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Main Results:

  • The crystal structure revealed the acridine moiety bound at one end of the G-quadruplex stack.
  • The ligand is situated within a thymine loop.
  • Binding is stabilized by stacking interactions and hydrogen bonds with thymine bases.

Conclusions:

  • The study elucidates the precise binding mode of an acridine ligand to a dimeric antiparallel G-quadruplex.
  • This detailed structural information is vital for designing more effective quadruplex-selective ligands.
  • Understanding ligand-quadruplex interactions can lead to the development of new telomerase inhibitors.