{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,13]],"date-time":"2026-09-13T02:48:18Z","timestamp":1789267698977,"version":"build-2803163510"},"reference-count":48,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2023,1,16]],"date-time":"2023-01-16T00:00:00Z","timestamp":1673827200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Comisi\u00f3n Sectorial de Investigaci\u00f3n Cient\u00edfica","award":["I+D 2018"],"award-info":[{"award-number":["I+D 2018"]}]},{"name":"Comisi\u00f3n Sectorial de Investigaci\u00f3n Cient\u00edfica","award":["PEDECIBA Qu\u00edmica"],"award-info":[{"award-number":["PEDECIBA Qu\u00edmica"]}]},{"name":"Comisi\u00f3n Sectorial de Investigaci\u00f3n Cient\u00edfica","award":["FAPESP"],"award-info":[{"award-number":["FAPESP"]}]},{"name":"Comisi\u00f3n Sectorial de Investigaci\u00f3n Cient\u00edfica","award":["CNPq"],"award-info":[{"award-number":["CNPq"]}]},{"name":"Programa de Desarrollo de las Ciencias B\u00e1sicas","award":["I+D 2018"],"award-info":[{"award-number":["I+D 2018"]}]},{"name":"Programa de Desarrollo de las Ciencias B\u00e1sicas","award":["PEDECIBA Qu\u00edmica"],"award-info":[{"award-number":["PEDECIBA Qu\u00edmica"]}]},{"name":"Programa de Desarrollo de las Ciencias B\u00e1sicas","award":["FAPESP"],"award-info":[{"award-number":["FAPESP"]}]},{"name":"Programa de Desarrollo de las Ciencias B\u00e1sicas","award":["CNPq"],"award-info":[{"award-number":["CNPq"]}]},{"name":"Uruguay and Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","award":["I+D 2018"],"award-info":[{"award-number":["I+D 2018"]}]},{"name":"Uruguay and Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","award":["PEDECIBA Qu\u00edmica"],"award-info":[{"award-number":["PEDECIBA Qu\u00edmica"]}]},{"name":"Uruguay and Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","award":["FAPESP"],"award-info":[{"award-number":["FAPESP"]}]},{"name":"Uruguay and Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","award":["CNPq"],"award-info":[{"award-number":["CNPq"]}]},{"name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","award":["I+D 2018"],"award-info":[{"award-number":["I+D 2018"]}]},{"name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","award":["PEDECIBA Qu\u00edmica"],"award-info":[{"award-number":["PEDECIBA Qu\u00edmica"]}]},{"name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","award":["FAPESP"],"award-info":[{"award-number":["FAPESP"]}]},{"name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","award":["CNPq"],"award-info":[{"award-number":["CNPq"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Searching for new copper compounds which may be useful as antitumor drugs, a series of new [Cu(L-dipeptide)(batho)] (batho:4,7-diphenyl-1,10-phenanthroline, L-dipeptide: Gly-Val, Gly-Phe, Ala-Gly, Ala-Ala, Ala-Phe, Phe-Ala, Phe-Val and Phe-Phe) complexes were synthesized and characterized. To interpret the experimental IR spectra, [Cu(ala-gly)(batho)] was modelled in the gas phase using DFT at the B3LYP\/LANL2DZ level of theory and the calculated vibrational frequencies were analyzed. Solid-state characterization is in agreement with pentacoordinate complexes of the general formula [Cu(L-dipeptide)(batho)]\u00b7x solvent, similar to other [Cu(L-dipeptide)(diimine)] complexes. In solution, the major species are heteroleptic, as in the solid state. The mode of binding to the DNA was evaluated by different techniques, to understand the role of the diimine and the dipeptide. To this end, studies were also performed with complexes [CuCl2(diimine)], [Cu(L-dipeptide)(diimine)] and free diimines, with phenanthroline, neocuproine and 3,4,7,8-tetramethyl-phenanthroline. The cytotoxicity of the complexes was determined on human cancer cell lines MDA-MB-231, MCF-7 (breast, the first triple negative), and A549 (lung epithelial) and non-tumor cell lines MRC-5 (lung) and MCF-10A (breast). [Cu(L-dipeptide)(batho)] complexes are highly cytotoxic as compared to cisplatin and [Cu(L-dipeptide)(phenanthroline)] complexes, being potential candidates to study their in vivo activity in the treatments of aggressive tumors for which there is no curative pharmacological treatment.<\/jats:p>","DOI":"10.3390\/molecules28020896","type":"journal-article","created":{"date-parts":[[2023,1,16]],"date-time":"2023-01-16T06:52:10Z","timestamp":1673851930000},"page":"896","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":34,"title":["New Copper(II)-L-Dipeptide-Bathophenanthroline Complexes as Potential Anticancer Agents\u2014Synthesis, Characterization and Cytotoxicity Studies\u2014And Comparative DNA-Binding Study of Related Phen Complexes"],"prefix":"10.3390","volume":"28","author":[{"given":"Carlos Y.","family":"Fern\u00e1ndez","sequence":"first","affiliation":[{"name":"Facultad de Qu\u00edmica, Universidad de la Rep\u00fablica, Av. General Flores 2124, CC1157, Montevideo 11800, Uruguay"},{"name":"Programa de Posgrados de la Facultad de Qu\u00edmica, Universidad de la Rep\u00fablica, Av. General Flores 2124, Montevideo 11800, Uruguay"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6974-2569","authenticated-orcid":false,"given":"Natalia","family":"Alvarez","sequence":"additional","affiliation":[{"name":"Facultad de Qu\u00edmica, Universidad de la Rep\u00fablica, Av. General Flores 2124, CC1157, Montevideo 11800, Uruguay"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Analu","family":"Rocha","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade Federal de S\u00e3o Carlos, CP 676, S\u00e3o Carlos 13565-905, SP, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0676-3098","authenticated-orcid":false,"given":"Javier","family":"Ellena","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av. do Trabalhador S\u00e3o-Carlense 400, S\u00e3o Carlos 143566-590, SP, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6730-8737","authenticated-orcid":false,"given":"Antonio J.","family":"Costa-Filho","sequence":"additional","affiliation":[{"name":"Faculdade de Filosofia, Ci\u00eancias e Letras de Ribeir\u00e3o Preto, Universidade de S\u00e3o Paulo, Av. Bandeirantes, Ribeir\u00e3o Preto 14040-901, SP, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alzir A.","family":"Batista","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade Federal de S\u00e3o Carlos, CP 676, S\u00e3o Carlos 13565-905, SP, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8960-2694","authenticated-orcid":false,"given":"Gianella","family":"Facchin","sequence":"additional","affiliation":[{"name":"Facultad de Qu\u00edmica, Universidad de la Rep\u00fablica, Av. General Flores 2124, CC1157, Montevideo 11800, Uruguay"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2023,1,16]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"209","DOI":"10.3322\/caac.21660","article-title":"Global Cancer Statistics 2020: GLOBOCAN Estimates of Incidence and Mortality Worldwide for 36 Cancers in 185 Countries","volume":"71","author":"Sung","year":"2021","journal-title":"CA Cancer J. Clin."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1016\/j.ejmech.2016.03.013","article-title":"Novel triazole hybrids of myrrhanone C, a natural polypodane triterpene: Synthesis, cytotoxic activity and cell based studies","volume":"114","author":"Chandrashekhar","year":"2016","journal-title":"Eur. J. Med. 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