DNA-Based Electrodes and Computational Approaches on the Intercalation Study of Antitumoral Drugs
Abstract
:1. Introduction
2. Results
2.1. CPDE for Voltammetric Evaluation of Anticancer Drugs
2.2. Molecular Docking
3. Materials and Methods
3.1. Reagents and Solutions
3.2. Electrochemical Assays
3.2.1. Carbon Paste Electrodes (CPE and CPDE)
3.2.2. Voltammetric Evaluation of Anticancer Drug Uptake
3.3. Molecular Docking
3.3.1. Ligand Preparation
3.3.2. DNA Preparation
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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Drugs (I/μA) | |||||||
---|---|---|---|---|---|---|---|
Time (Seconds) | MIT | MTX | IDA | DAU | DOX | DAR | CBP |
444.481 g/mol | 454.44 g/mol | 497.500 g/mol | 527.52 g/mol | 543.52 g/mol | 182.187 g/mol | 236.269 g/mol | |
10 | 18 | 15 | 19 | 19 | 20 | 7 | 5 |
60 | 41 | 36 | 25 | 27 | 32 | 19 | 9 |
300 | 74 | 63 | 53 | 48 | 54 | 33 | 16 |
ΔIt300-t10 | 56 | 48 | 34 | 29 | 34 | 26 | 11 |
ΔICPDE-CPE | 11 | 10 | 5.0 | 4.7 | 3.8 | 5.6 | 1.4 |
Glid Score | −11.9 | −8.9 | −10.3 | −8.9 | −10.3 | −3.8 | 0 |
IC50 (μM) | 1.6 * | 0.6 * | 0.03 ** | 0.03 ** | 0.2 * | 20 ** | - |
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Rodrigues, E.S.B.; Macêdo, I.Y.L.d.; Silva, G.N.d.M.e.; de Carvalho e Silva, A.; Gil, H.P.V.; Neves, B.J.; Gil, E.d.S. DNA-Based Electrodes and Computational Approaches on the Intercalation Study of Antitumoral Drugs. Molecules 2021, 26, 7623. https://doi.org/10.3390/molecules26247623
Rodrigues ESB, Macêdo IYLd, Silva GNdMe, de Carvalho e Silva A, Gil HPV, Neves BJ, Gil EdS. DNA-Based Electrodes and Computational Approaches on the Intercalation Study of Antitumoral Drugs. Molecules. 2021; 26(24):7623. https://doi.org/10.3390/molecules26247623
Chicago/Turabian StyleRodrigues, Edson Silvio Batista, Isaac Yves Lopes de Macêdo, Giovanna Nascimento de Mello e Silva, Arthur de Carvalho e Silva, Henric Pietro Vicente Gil, Bruno Junior Neves, and Eric de Souza Gil. 2021. "DNA-Based Electrodes and Computational Approaches on the Intercalation Study of Antitumoral Drugs" Molecules 26, no. 24: 7623. https://doi.org/10.3390/molecules26247623