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Updated: Aug 3, 2025

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Simple and fast screening for structure-selective G-quadruplex ligands.

Yoshiki Hashimoto1, Yoshiki Imagawa1, Kaho Nagano1

  • 1Frontiers of Innovative Research in Science and Technology, Konan university, 7-1-20 Minatojima-minamimachi, Chuo-ku, Kobe, Hyogo, 650-0047, Japan.

Chemical Communications (Cambridge, England)
|April 11, 2023
PubMed
Summary

Researchers developed new G-quadruplex ligands with high structural selectivity for potential cellular applications. These ligands show promising affinity, selectivity, and enzymatic inhibition, with a clear link between structure selectivity and cytotoxicity.

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Area of Science:

  • Biochemistry
  • Molecular Biology
  • Medicinal Chemistry

Background:

  • G-quadruplex structures are crucial therapeutic targets, but achieving selectivity over abundant duplex DNA is challenging.
  • Developing selective G-quadruplex ligands is vital for effective cellular applications and minimizing off-target effects.

Purpose of the Study:

  • To design and synthesize novel G-quadruplex ligands with high structural selectivity.
  • To evaluate the affinity, selectivity, enzymatic inhibitory activity, and cytotoxicity of these new ligands.
  • To establish a structure-selectivity-cytotoxicity relationship for G-quadruplex ligands.

Main Methods:

  • A rapid and straightforward screening system was employed for ligand development.
  • Comprehensive assays were conducted to assess ligand binding affinity and selectivity for G-quadruplex over duplex DNA.
  • Enzymatic inhibition assays and cytotoxicity studies were performed on selected ligands.

Main Results:

  • New G-quadruplex ligands demonstrating significant structural selectivity were successfully developed.
  • The ligands exhibited favorable binding affinity and potent enzymatic inhibitory activity.
  • A direct correlation was observed between the structural selectivity of the ligands and their cytotoxic profiles.

Conclusions:

  • The developed screening system efficiently yields structure-selective G-quadruplex ligands.
  • These ligands represent promising candidates for further investigation in therapeutic applications targeting G-quadruplex structures.
  • Understanding the structure-selectivity-cytotoxicity relationship is key for optimizing G-quadruplex ligand design.