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