Deciphering the intercalative binding modes of benzoyl peroxide with calf thymus DNA
| Autor: | Guowen Zhang, Deming Gong, Kaixin Xia |
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| Rok vydání: | 2016 |
| Předmět: |
Models
Molecular Conformational change Circular dichroism Stereochemistry Base pair Intercalation (chemistry) Biophysics 02 engineering and technology Benzoyl peroxide 010402 general chemistry 01 natural sciences Binding Competitive Hydrophobic effect Bleaching Agents medicine Animals Quenching (fluorescence) Binding Sites Benzoyl Peroxide Chemistry Hydrogen bond Circular Dichroism Hydrogen Bonding DNA 021001 nanoscience & nanotechnology 0104 chemical sciences Molecular Docking Simulation Crystallography Chemistry (miscellaneous) Nucleic Acid Conformation Cattle 0210 nano-technology medicine.drug |
| Zdroj: | Luminescence : the journal of biological and chemical luminescence. 32(6) |
| ISSN: | 1522-7243 |
| Popis: | The binding of benzoyl peroxide (BPO), a flour brightener, with calf thymus DNA (ctDNA) was predicted by molecular simulation, and this were confirmed using multi-spectroscopic techniques and a chemometrics algorithm. The molecular docking result showed that BPO could insert into the base pairs of ctDNA, and the adenine bases were the preferential binding sites which were validated by the analysis of Fourier transform infrared spectra. The mode of binding of BPO with ctDNA was an intercalation as supported by the results from ctDNA melting and viscosity measurements, iodide quenching effects and competitive binding investigations. The circular dichroism and DNA cleavage assays indicated that BPO induced a conformational change from B-like DNA structure towards to A-like form, but did not lead to significant damage in the DNA. The complexation was driven mainly by hydrogen bonds and hydrophobic interactions. Moreover, the ultraviolet-visible (UV-vis) spectroscopic data matrix was resolved by a multivariate curve resolution-alternating least-squares algorithm. The equilibrium concentration profiles for the components (BPO, ctDNA and BPO-ctDNA complex) were extracted from the highly overlapping composite response to quantitatively monitor the BPO-ctDNA interaction. This study has provided insights into the mechanism of the interaction of BPO with ctDNA and potential hazards of the food additive. |
| Databáze: | OpenAIRE |
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