The evaluation of Cr-curcumin-DNA complexation by experimental and theoretical approaches

ABSTRACT

Chromium(III) chloride mediates DNA-DNA cross-linking. Some chromium complexes promote programmed cell death in specific ligand environment through binding to DNA. One strategy that can be supposed for reduction of Cr³⁺ binding affinity to DNA is using curcumin as a chelator. In the current study, the [Cr(Curcumin)(EtOH)₂](NO₃)₂ (CCC) was synthesized and characterized by UV/Vis, FT-IR, CHN and spectrophotometric titration techniques. The mole ratio plot revealed a 1:1 complex between Cr³⁺ and curcumin in solution. Binding interaction of this complex with calf thymus-DNA (CT-DNA) was investigated using UV/Vis, circular dichroism (CD), FT-IR and cyclic voltammetry. The intrinsic binding constants of CCC with DNA, measured by UV/Vis and cyclic voltammetry, were 1.60 × 10⁵ and 1.13 × 10⁵, respectively. The thermodynamic studies showed that the reaction is enthalpy and entropy favoured. CD analysis revealed that only Λ-CCC interacts with DNA and Δ-CCC form has no tendency towards DNA. Based on FT-IR studies, it was understood that CCC interacts with DNA via minor groove binding. The docking simulation was carried out for finding the binding mode of CCC to DNA, too. All of data demonstrated that the curcumin significantly reduced the affinity of Cr³⁺ to the DNA and the form of Δ-CCC has no interaction with DNA.

KEYWORDS:

• Cr-curcumin complex
• in vitro DNA interaction
• minor groove bonding
• molecular docking

Conflict of interest

The authors declare that there is no conflict of interest.

Acknowledgment

The authors would like to thank the Biotechnology Research Center of Tabriz University of Medical Sciences for providing computational facilities for the current study.