Kolaviron influences calf thymus DNA conformational stability and structural dynamics: a multi-spectroscopic and
Oluseyi V Ochima1, Adejoke N Kolawole2, Babatunde A Falese2
1Department of Applied Science and Technology, North Carolina Agricultural and Technical State University, Greensboro, NC 27411, USA; Department of Biochemistry, The Federal University of Technology, Akure, Nigeria.
Journal of Structural Biology
|July 24, 2026
Summary
Kolaflavanone, a component of Kolaviron, binds to the minor groove of DNA (ctDNA) through electrostatic interactions. This binding is thermodynamically favorable and suggests potential for developing stable, DNA-targeted cancer therapeutics.
Area of Science:
- Biochemistry
- Molecular Biology
- Pharmacology
Background:
- Kolaviron exhibits anticancer potential.
- Understanding its DNA interaction mechanism is crucial for therapeutic development.
Purpose of the Study:
- To investigate the binding efficacy and thermodynamics of kolaflavanone with double-stranded calf thymus DNA (ctDNA).
- To elucidate the mechanism of kolaflavanone-DNA interaction for potential therapeutic applications.
Main Methods:
- Spectroscopic techniques (UV-Vis, fluorescence)
- Viscometric analysis
- Thermal denaturation studies
- Molecular docking and dynamics simulations
Main Results:
- Kolaflavanone binds to the minor groove of ctDNA via electrostatic interactions.
- Binding is enthalpically and entropically driven (ΔH = -18.16 kJ/mol, ΔS = 38.60 J/mol/K).
- Molecular docking confirms minor groove binding, preference for A-T regions, and binding affinity of -7.4 kcal/mol.
Conclusions:
- Kolaflavanone interaction with ctDNA is stable and non-intercalative.
- This interaction suggests potential for designing DNA-targeted therapeutics with enhanced stability.
- Potential for tumor-specific gene regulation through DNA-targeted drug design.
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