DNA-based electrodes and computational approaches on the intercalation study of antitumoral drugs
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2021
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The binding between anticancer drugs and double-stranded DNA (dsDNA) is a key issue
to understand their mechanism of action, and many chemical methods have been explored on this
task. Molecular docking techniques successfully predict the affinity of small molecules into the
DNA binding sites. In turn, various DNA-targeted drugs are electroactive; in this regard, their
electrochemical behavior may change according to the nature and strength of interaction with DNA.
A carbon paste electrode (CPE) modified with calf thymus ds-DNA (CPDE) and computational
methods were used to evaluate the drug–DNA intercalation of doxorubicin (DOX), daunorubicin
(DAU), idarubicin (IDA), dacarbazine (DAR), mitoxantrone (MIT), and methotrexate (MTX), aiming
to evaluate eventual correlations. CPE and CPDE were immersed in pH 7 0.1 mM solutions of each
drug with different incubation times. As expected, the CPDE response for all DNA-targeted drugs
was higher than that of CPE, evidencing the drug–DNA interaction. A peak current increase of up
to 10-fold was observed; the lowest increase was seen for MTX, and the highest increase for MIT.
Although this increase in the sensitivity is certainly tied to preconcentration effects of DNA, the data
did not agree entirely with docking studies, evidencing the participation of other factors, such as
viscosity, interfacial electrostatic interactions, and coefficient of diffusion.
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Voltammetry, DNA intercalation, Electrocatalysis, Molecular docking, Intermolecular interactions
Citação
RODRIGUES, Edson Silvio Batista et al. DNA-based electrodes and computational approaches on the intercalation study of antitumoral drugs. Molecules, Basel, v. 26, n. 24, e7623, 2021. DOI: 10.3390/molecules26247623. Disponível em: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8709249/. Acesso em: 6 set. 2024.