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Related Experiment Videos

Asymmetry and dynamics in bis-intercalated DNA

M E Peek1, L A Lipscomb, J Haseltine

  • 1School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta 30332-0400, USA.

Bioorganic & Medicinal Chemistry
|June 1, 1995
PubMed
Summary

Ditercalinium, a DNA-binding compound, exhibits asymmetric structures and potential for structural polymorphism, influencing its activity. Its linker

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Area of Science:

  • Medicinal Chemistry
  • Structural Biology
  • Molecular Pharmacology

Background:

  • Ditercalinium (NSC 366241) is a bis-intercalator with high DNA binding affinity (>10(7) M-1).
  • Previous studies link ditercalinium activity to linker composition and conformational restraints.

Purpose of the Study:

  • To investigate the relationship between ditercalinium's linker structure, DNA complex asymmetry, and potential structural polymorphism.
  • To explore the conformational space of the ditercalinium linker using analogous fragments.

Main Methods:

  • Analysis of analogous chemical fragments from the Cambridge Structural Database (CSD).
  • Conformational analysis of the ditercalinium linker.

Main Results:

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  • The ditercalinium linker is conformationally constrained, leading to intrinsic asymmetry in DNA complexes.
  • The study identified a plausible ring reversal mechanism for the linker.

    • Conclusions:

    • The intrinsic asymmetry and conformational constraints of the ditercalinium linker contribute to structural polymorphism in DNA complexes.
    • This structural polymorphism is proposed to be a key factor in ditercalinium's biological activity.