Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods
The binding of drugs to DNA plays a critical role in new drug discovery and is important for designing better drugs. In this study, the interaction and binding mode of calf-thymus double-stranded deoxyribonucleic acid (ct-dsDNA) with cinacalcet (CIN) from the calcimimetic drug that mimics the action...
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MDPI AG
2022-04-01
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| Series: | Biosensors |
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| Online Access: | https://www.mdpi.com/2079-6374/12/5/278 |
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| author | Cem Erkmen Didem Nur Unal Sevinc Kurbanoglu Gokcen Eren Bengi Uslu |
| author_facet | Cem Erkmen Didem Nur Unal Sevinc Kurbanoglu Gokcen Eren Bengi Uslu |
| author_sort | Cem Erkmen |
| collection | DOAJ |
| description | The binding of drugs to DNA plays a critical role in new drug discovery and is important for designing better drugs. In this study, the interaction and binding mode of calf-thymus double-stranded deoxyribonucleic acid (ct-dsDNA) with cinacalcet (CIN) from the calcimimetic drug that mimics the action of calcium on tissues group were investigated. The interaction of CIN with ct-dsDNA was observed by the differential pulse voltammetry (DPV) technique by following the decrease in electrochemical oxidation signals to deoxyguanosine and adenosine. A competitive study was performed on an indicator, methylene blue, to investigate the interaction of the drug with ct-dsDNA by fluorescence spectroscopy. Interaction studies have shown that the binding mode for the interaction of CIN with ct-dsDNA could be groove-binding. According to the results obtained, the binding constant values were found to be 6.30 × 10<sup>4</sup> M<sup>−1</sup> and 3.16 × 10<sup>5</sup> M<sup>−1</sup>, respectively, at 25 °C as obtained from the cyclic voltammetry (CV) and spectroscopic techniques. Possible molecular interactions of CIN with dsDNA were explored via molecular docking experiments. The docked structure indicated that CIN could fit well into the minor groove of the DNA through H-bonding and π-π stacking contact with CIN. |
| first_indexed | 2024-03-10T03:15:57Z |
| format | Article |
| id | doaj.art-ce2ba58e37474ebf8291d8d97006852b |
| institution | Directory Open Access Journal |
| issn | 2079-6374 |
| language | English |
| last_indexed | 2024-03-10T03:15:57Z |
| publishDate | 2022-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Biosensors |
| spelling | doaj.art-ce2ba58e37474ebf8291d8d97006852b2023-11-23T10:15:09ZengMDPI AGBiosensors2079-63742022-04-0112527810.3390/bios12050278Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking MethodsCem Erkmen0Didem Nur Unal1Sevinc Kurbanoglu2Gokcen Eren3Bengi Uslu4Department of Analytical Chemistry, Faculty of Pharmacy, Ankara University, Ankara 06560, TurkeyDepartment of Analytical Chemistry, Faculty of Pharmacy, Ankara University, Ankara 06560, TurkeyDepartment of Analytical Chemistry, Faculty of Pharmacy, Ankara University, Ankara 06560, TurkeyDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Gazi University, Etiler, Ankara 06330, TurkeyDepartment of Analytical Chemistry, Faculty of Pharmacy, Ankara University, Ankara 06560, TurkeyThe binding of drugs to DNA plays a critical role in new drug discovery and is important for designing better drugs. In this study, the interaction and binding mode of calf-thymus double-stranded deoxyribonucleic acid (ct-dsDNA) with cinacalcet (CIN) from the calcimimetic drug that mimics the action of calcium on tissues group were investigated. The interaction of CIN with ct-dsDNA was observed by the differential pulse voltammetry (DPV) technique by following the decrease in electrochemical oxidation signals to deoxyguanosine and adenosine. A competitive study was performed on an indicator, methylene blue, to investigate the interaction of the drug with ct-dsDNA by fluorescence spectroscopy. Interaction studies have shown that the binding mode for the interaction of CIN with ct-dsDNA could be groove-binding. According to the results obtained, the binding constant values were found to be 6.30 × 10<sup>4</sup> M<sup>−1</sup> and 3.16 × 10<sup>5</sup> M<sup>−1</sup>, respectively, at 25 °C as obtained from the cyclic voltammetry (CV) and spectroscopic techniques. Possible molecular interactions of CIN with dsDNA were explored via molecular docking experiments. The docked structure indicated that CIN could fit well into the minor groove of the DNA through H-bonding and π-π stacking contact with CIN.https://www.mdpi.com/2079-6374/12/5/278calf thymus double-stranded deoxyribonucleic acidcinacalcetelectrochemistryfluorescence spectroscopymolecular docking |
| spellingShingle | Cem Erkmen Didem Nur Unal Sevinc Kurbanoglu Gokcen Eren Bengi Uslu Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods Biosensors calf thymus double-stranded deoxyribonucleic acid cinacalcet electrochemistry fluorescence spectroscopy molecular docking |
| title | Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods |
| title_full | Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods |
| title_fullStr | Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods |
| title_full_unstemmed | Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods |
| title_short | Evaluation of the Interaction of Cinacalcet with Calf Thymus dsDNA: Use of Electrochemical, Spectrofluorimetric, and Molecular Docking Methods |
| title_sort | evaluation of the interaction of cinacalcet with calf thymus dsdna use of electrochemical spectrofluorimetric and molecular docking methods |
| topic | calf thymus double-stranded deoxyribonucleic acid cinacalcet electrochemistry fluorescence spectroscopy molecular docking |
| url | https://www.mdpi.com/2079-6374/12/5/278 |
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