Trisubstituted acridines as G-quadruplex telomere targeting agents. Effects of extensions of the 3,6- and 9-side chains on quadruplex binding, telomerase activity, and cell proliferation

J Med Chem. 2006 Jan 26;49(2):582-99. doi: 10.1021/jm050555a.

Abstract

The synthesis is reported of a group of 3,6,9-trisubstituted acridine compounds as telomeric quadruplex-stabilizing ligands with systematic variations at the 3-, 6-, and 9-positions. A new microwave-assisted methodology has been developed for trisubstituted acridine synthesis. Structure-activity relationships are reported using surface plasmon resonance and a fluorescence melting assay to examine quadruplex binding, together with a telomerase inhibition assay. These reveal relationships between G-quadruplex stabilization and telomerase inhibition and optimal 3,6- and 9-substituent side-chain lengths for maximal activity. Qualitative molecular modeling using molecular dynamics simulations has been undertaken on four quadruplex-DNA complexes. Long-term exposure of MCF7 cancer cells to a subset of the most active compounds, at doses lower than the IC(50) values, showed that one compound produced a marked decrease in population growth, accompanied by senescence, which is consistent with telomere targeting by this agent.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Acridines / chemical synthesis*
  • Acridines / chemistry
  • Acridines / pharmacology
  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Cell Line, Tumor
  • Cell Proliferation / drug effects
  • DNA / metabolism*
  • Drug Screening Assays, Antitumor
  • Fluorescence Resonance Energy Transfer
  • G-Quadruplexes
  • Humans
  • Ligands
  • Models, Molecular
  • Quantitative Structure-Activity Relationship
  • Quantum Theory
  • Surface Plasmon Resonance
  • Telomerase / antagonists & inhibitors*
  • Telomerase / metabolism
  • Telomere / drug effects*
  • Telomere / enzymology

Substances

  • Acridines
  • Antineoplastic Agents
  • Ligands
  • DNA
  • Telomerase