{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T04:57:50Z","timestamp":1787029070058,"version":"build-2736575974"},"reference-count":42,"publisher":"MDPI AG","issue":"24","license":[{"start":{"date-parts":[[2021,12,16]],"date-time":"2021-12-16T00:00:00Z","timestamp":1639612800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100003593","name":"National Council for Scientific and Technological Development","doi-asserted-by":"publisher","award":["40287\/2018-0"],"award-info":[{"award-number":["40287\/2018-0"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordena\u00e7\u00e3o de Aperfeicoamento de Pessoal de N\u00edvel Superior","doi-asserted-by":"publisher","award":["scolarship"],"award-info":[{"award-number":["scolarship"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005285","name":"Funda\u00e7\u00e3o de Apoio a Pesquisa do Estado de Goi\u00e1s","doi-asserted-by":"publisher","award":["07\/2016"],"award-info":[{"award-number":["07\/2016"]}],"id":[{"id":"10.13039\/501100005285","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>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\u2013DNA 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\u2013DNA 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.<\/jats:p>","DOI":"10.3390\/molecules26247623","type":"journal-article","created":{"date-parts":[[2021,12,15]],"date-time":"2021-12-15T21:47:36Z","timestamp":1639604856000},"page":"7623","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["DNA-Based Electrodes and Computational Approaches on the Intercalation Study of Antitumoral Drugs"],"prefix":"10.3390","volume":"26","author":[{"given":"Edson Silvio Batista","family":"Rodrigues","sequence":"first","affiliation":[{"name":"Lafam\u2014Laboratory for Pharmaceutical and Environmental Analysis, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6043-5343","authenticated-orcid":false,"given":"Isaac Yves Lopes de","family":"Mac\u00eado","sequence":"additional","affiliation":[{"name":"Lafam\u2014Laboratory for Pharmaceutical and Environmental Analysis, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Giovanna Nascimento de Mello e","family":"Silva","sequence":"additional","affiliation":[{"name":"Lafam\u2014Laboratory for Pharmaceutical and Environmental Analysis, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9866-3344","authenticated-orcid":false,"given":"Arthur","family":"de Carvalho e Silva","sequence":"additional","affiliation":[{"name":"LabMol\u2014Laboratory for Molecular Modeling and Drug Design, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Henric Pietro Vicente","family":"Gil","sequence":"additional","affiliation":[{"name":"LabMol\u2014Laboratory for Molecular Modeling and Drug Design, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bruno Junior","family":"Neves","sequence":"additional","affiliation":[{"name":"LabMol\u2014Laboratory for Molecular Modeling and Drug Design, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9161-0127","authenticated-orcid":false,"given":"Eric de Souza","family":"Gil","sequence":"additional","affiliation":[{"name":"Lafam\u2014Laboratory for Pharmaceutical and Environmental Analysis, Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia 74605-170, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,12,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"129120","DOI":"10.1016\/j.snb.2020.129120","article-title":"Sensors and Actuators: B. Chemical Electrochemical Detection of Interaction between Daunorubicin and DNA by Hybrid Nanoflowers Modified Graphite Electrodes","volume":"329","author":"Findik","year":"2020","journal-title":"Sens. Actuators B Chem."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"111826","DOI":"10.1016\/j.bios.2019.111826","article-title":"Target-Driven Rolling Walker Based Electrochemical Biosensor for Ultrasensitive Detection of Circulating Tumor DNA Using Doxorubicin@tetrahedron-Au Tags","volume":"148","author":"Li","year":"2020","journal-title":"Biosens. Bioelectron."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"23","DOI":"10.1016\/j.trac.2016.01.019","article-title":"Applications of a DNA-Electrochemical Biosensor","volume":"79","author":"Diculescu","year":"2016","journal-title":"TrAC-Trends Anal. Chem."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"5227","DOI":"10.1039\/c0cp02377a","article-title":"In Situ Evaluation of Anticancer Drug Methotrexate-DNA Interaction Using a DNA-Electrochemical Biosensor and AFM Characterization","volume":"13","author":"Pontinha","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1016\/j.jphotobiol.2014.05.015","article-title":"In Vitro DNA Binding Studies of Anticancer Drug Idarubicin Using Spectroscopic Techniques","volume":"138","author":"Ozluer","year":"2014","journal-title":"J. Photochem. Photobiol. B Biol."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"213","DOI":"10.1016\/j.ijbiomac.2013.05.027","article-title":"Structural Investigation of Idarubicin-DNA Interaction: Spectroscopic and Molecular Docking Study","volume":"60","author":"Charak","year":"2013","journal-title":"Int. J. Biol. Macromol."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1016\/j.jct.2014.04.015","article-title":"Intercalative Interaction of the Anticancer Drug Mitoxantrone with Double Stranded DNA: A Calorimetric Characterization of the Energetics","volume":"75","author":"Bhattacharyya","year":"2014","journal-title":"J. Chem. Thermodyn."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"139","DOI":"10.1016\/j.electacta.2017.06.140","article-title":"Complexing Daunorubicin with \u03b2-Cyclodextrin Derivative Increases Drug Intercalation into DNA","volume":"247","author":"Krzak","year":"2017","journal-title":"Electrochim. Acta"},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/j.jelechem.2014.01.007","article-title":"Voltammetric and Spectroscopic Studies on the Binding of the Antitumor Drug Dacarbazine with DNA","volume":"717\u2013718","author":"Radi","year":"2014","journal-title":"J. Electroanal. Chem."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"135180","DOI":"10.1016\/j.electacta.2019.135180","article-title":"Doxorubicin Determination Using Two Novel Voltammetric Approaches: A Comparative Study","volume":"330","author":"Langmaier","year":"2020","journal-title":"Electrochim. Acta"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"687","DOI":"10.1016\/j.electacta.2015.08.074","article-title":"Electrochemistry of the Interaction between Bioactive Drugs Daunorubicin and Dopamine and DNA at a Water\/Oil Interface","volume":"180","author":"Ribeiro","year":"2015","journal-title":"Electrochim. Acta"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/j.bioelechem.2014.06.002","article-title":"Redox Mechanism of Anticancer Drug Idarubicin and In-Situ Evaluation of Interaction with DNA Using an Electrochemical Biosensor","volume":"99","year":"2014","journal-title":"Bioelectrochemistry"},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1016\/j.ijbiomac.2015.04.055","article-title":"Dacarbazine as a Minor Groove Binder of DNA: Spectroscopic, Biophysical and Molecular Docking Studies","volume":"79","author":"Ahmad","year":"2015","journal-title":"Int. J. Biol. Macromol."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"114748","DOI":"10.1016\/j.jelechem.2020.114748","article-title":"A Surfactant SDS Modified Carbon Paste Electrode as an Enhanced and Effective Electrochemical Sensor for the Determination of Doxorubicin and Dacarbazine Its Applications: A Voltammetric Study","volume":"879","author":"Deepa","year":"2020","journal-title":"J. Electroanal. Chem."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/j.jphotobiol.2012.11.001","article-title":"Spectroscopic Studies of the Effects of Anticancer Drug Mitoxantrone Interaction with Calf-Thymus DNA","volume":"120","author":"Agarwal","year":"2013","journal-title":"J. Photochem. Photobiol. B Biol."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1016\/j.bios.2012.12.028","article-title":"Interaction of Anticancer Drug Methotrexate with DNA Analyzed by Electrochemical and Spectroscopic Methods","volume":"44","author":"Rafique","year":"2013","journal-title":"Biosens. Bioelectron."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1016\/j.electacta.2015.04.087","article-title":"Electrochemical Investigation of an Interaction of the Antidepressant Drug Aripiprazole with Original and Damaged Calf Thymus DsDNA","volume":"169","author":"Kurbanoglu","year":"2015","journal-title":"Electrochim. Acta"},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1016\/j.snb.2014.02.083","article-title":"A Novel Electrochemical DNA Biosensor Based on Poly-(5-Amino-2-Mercapto-1, 3,4-Thiadiazole) Modified Glassy Carbon Electrode for the Determination of Nitrofurantoin","volume":"197","author":"Zeybek","year":"2014","journal-title":"Sens. Actuators B Chem."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1016\/j.aca.2015.09.049","article-title":"In Situ DsDNA-Bevacizumab Anticancer Monoclonal Antibody Interaction Electrochemical Evaluation","volume":"898","author":"Marques","year":"2015","journal-title":"Anal. Chim. Acta"},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1016\/j.bioelechem.2015.10.004","article-title":"In Situ Electrochemical Evaluation of DsDNA Interaction with the Anticancer Drug Danusertib Nitrenium Radical Product Using the DNA-Electrochemical Biosensor","volume":"107","author":"Diculescu","year":"2016","journal-title":"Bioelectrochemistry"},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"3783","DOI":"10.1007\/s00216-012-6546-x","article-title":"In Situ Electrochemical Evaluation of Anticancer Drug Temozolomide and Its Metabolites-DNA Interaction","volume":"405","author":"Lopes","year":"2013","journal-title":"Anal. Bioanal. Chem."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.bioelechem.2014.05.005","article-title":"In Situ Evaluation of Gemcitabine-DNA Interaction Using a DNA-Electrochemical Biosensor","volume":"99","author":"Buoro","year":"2014","journal-title":"Bioelectrochemistry"},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"246","DOI":"10.1016\/j.electacta.2016.04.097","article-title":"Bevacizumab Anticancer Monoclonal Antibody: Native and Denatured Redox Behaviour","volume":"206","author":"Issaad","year":"2016","journal-title":"Electrochim. Acta"},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"628","DOI":"10.2174\/1386207311004070628","article-title":"DNA-Electrochemical Biosensors: AFM Surface Characterisation and Application to Detection of In Situ Oxidative Damage to DNA","volume":"13","author":"Carlos","year":"2012","journal-title":"Comb. Chem. High Throughput Screen."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/j.bioelechem.2011.07.004","article-title":"Nucleoside Analogue Electrochemical Behaviour and in Situ Evaluation of DNA-Clofarabine Interaction","volume":"87","author":"Satana","year":"2012","journal-title":"Bioelectrochemistry"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"104946","DOI":"10.1016\/j.microc.2020.104946","article-title":"A voltammetric study on drug-DNA interactions: Kinetic and thermodynamic aspects of the relations between the anticancer agent dasatinib and ds-DNA using a pencil lead graphite electrode","volume":"157","author":"Bayraktepe","year":"2020","journal-title":"Microchem. J."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1016\/S0301-4622(02)00371-X","article-title":"Electrochemical determination of interaction parameters for DNA and mitoxantrone in an irreversible redox process","volume":"104","author":"Wanga","year":"2003","journal-title":"Biophys. Chem."},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"288","DOI":"10.1002\/elan.201700615","article-title":"A Graphene Oxide-DNA Electrochemical Sensor Based on Glassy Carbon Electrode for Sensitive Determination of Methotrexate","volume":"30","author":"Chen","year":"2018","journal-title":"Electroanalysis"},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"814","DOI":"10.3389\/fchem.2020.00814","article-title":"A DNA Based Biosensor Amplified With ZIF-8\/Ionic Liquid Composite for Determination of Mitoxantrone Anticancer Drug: An Experimental\/Docking Investigation","volume":"8","author":"Alizadeh","year":"2020","journal-title":"Front. Chem."},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1007\/BF02980041","article-title":"Electrochemical Behavior and Square Wave Voltammetric Determination of Doxorubicin Hydrochloride","volume":"27","author":"Hahn","year":"2004","journal-title":"Arch. Pharmacal Res."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"D1202","DOI":"10.1093\/nar\/gkv951","article-title":"PubChem Substance and Compound Databases","volume":"44","author":"Kim","year":"2016","journal-title":"Nucleic Acids Res."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1007\/s10822-007-9133-z","article-title":"Epik: A Software Program for PK(a) Prediction and Protonation State Generation for Drug-like Molecules","volume":"21","author":"Shelley","year":"2007","journal-title":"J. Comput. Aided Mol. Des."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"534","DOI":"10.1021\/ci100015j","article-title":"ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers","volume":"50","author":"Watts","year":"2010","journal-title":"J. Chem. Inf. Model."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"1752","DOI":"10.1002\/jcc.20292","article-title":"Integrated Modeling Program, Applied Chemical Theory (IMPACT)","volume":"26","author":"Banks","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"7104","DOI":"10.1021\/bi00146a011","article-title":"Crystal Structure of a Pentamidine-Oligonucleotide Complex: Implications for DNA-Binding Properties","volume":"31","author":"Edwards","year":"1992","journal-title":"Biochemistry"},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"1009","DOI":"10.1107\/S0907444905015404","article-title":"The Anticancer Agent Ellipticine Unwinds DNA by Intercalative Binding in an Orientation Parallel to Base Pairs","volume":"61","author":"Canals","year":"2005","journal-title":"Acta Crystallogr. Sect. D Biol. Crystallogr."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The Protein Data Bank","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ref_38","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","article-title":"Protein and Ligand Preparation: Parameters, Protocols, and Influence on Virtual Screening Enrichments","volume":"27","author":"Sastry","year":"2013","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"2284","DOI":"10.1021\/ct200133y","article-title":"Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of PKa Values","volume":"7","author":"Olsson","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","article-title":"Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening","volume":"47","author":"Halgren","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"6177","DOI":"10.1021\/jm051256o","article-title":"Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes","volume":"49","author":"Friesner","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"2136","DOI":"10.2174\/092986707781389673","article-title":"DNA Minor Groove Binders: An Overview on Molecular Modeling and QSAR Approaches","volume":"14","author":"Lauria","year":"2007","journal-title":"Curr. Med. Chem."}],"container-title":["Molecules"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1420-3049\/26\/24\/7623\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,11]],"date-time":"2025-10-11T07:49:11Z","timestamp":1760168951000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1420-3049\/26\/24\/7623"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,12,16]]},"references-count":42,"journal-issue":{"issue":"24","published-online":{"date-parts":[[2021,12]]}},"alternative-id":["molecules26247623"],"URL":"https:\/\/doi.org\/10.3390\/molecules26247623","relation":{},"ISSN":["1420-3049"],"issn-type":[{"value":"1420-3049","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,12,16]]}}}