Journal
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
Volume 36, Issue 8, Pages 497-510Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/15257770.2017.1332370
Keywords
Macrocyclic copper(II) complex; DNA interaction; spectroscopic studies; molecular docking; groove binding
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Funding
- Razi University Research Center
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The interaction of a novel macrocyclic copper(II) complex, ([CuL(ClO4) (]) that L is 1,3,6,10,12,15-hexaazatricyclo[13.3.1.16,10] eicosane) with calf thymus DNA (ct-DNA) was investigated by various physicochemical techniques and molecular docking at simulated physiological conditions (pH = 7.4). The absorption spectra of the Cu(II) complex with ct-DNA showed a marked hyperchroism with 10nmblue shift. The intrinsic binding constant (K-b) was determined as 1.25 x 10(4) M-1, which is more in keeping with the groove binding with DNA. Furthermore, competitive fluorimetric studies with Hoechst33258 have shown that Cu(II) complex exhibits the ability to displace the ct-DNA-bound Hoechst33258 indicating that it binds to ct-DNA in strong competition with Hoechst33258 for the groove binding. Also, no change in the relative viscosity of ct-DNA and fluorescence intensity of ct-DNA-MB complex in the present of Cu(II) complex is another evidence to groove binding. The thermodynamic parameters are calculated by van't Hoff equation, which demonstrated that hydrogen bonds and van der Waals interactions played major roles in the binding reaction. The experimental results were in agreement with the results obtained via molecular docking study.
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