ArticleJournal of chemical information and modeling2026
Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks.
Amanda R Guimarães, Óscar R Ballesteros, Iván Rivilla, Irene Olaizola, Mikel Odriozola-Gimeno, Abel de Cózar, David de Sancho, Xabier Lopez, Jesus M Banales, Fernando P Cossío
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In one paragraphArticle in Journal of chemical information and modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 · Who and what moneyAuthors and funding
10 authors.
Amanda R GuimarãesDepartment of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO-CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P° Manuel Lardizabal 3, Donostia/San Sebastián 20018, Spain.
Óscar R BallesterosDonostia International Physics Center (DIPC), P° Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain.
Iván RivillaDepartment of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO-CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P° Manuel Lardizabal 3, Donostia/San Sebastián 20018, Spain.ORCID 0000-0003-1984-7183 Irene OlaizolaDepartment of Liver and Gastrointestinal Diseases, Biogipuzkoa Health Research Institute - Donostia University Hospital -, University of the Basque Country (UPV/EHU), P° Dr. Begiristain, s/n, Donostia-San Sebastian 20014, Spain.
Mikel Odriozola-GimenoDepartment of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO-CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P° Manuel Lardizabal 3, Donostia/San Sebastián 20018, Spain.
Abel de CózarDepartment of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO-CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P° Manuel Lardizabal 3, Donostia/San Sebastián 20018, Spain.ORCID 0000-0001-8430-4076 David de SanchoPolimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P° Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain.ORCID 0000-0002-8985-2685 Xabier LopezPolimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P° Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain.ORCID 0000-0002-2711-3588 Jesus M BanalesIKERBASQUE, Basque Foundation for Science, Ma Diaz de Haro 3, Bilbao 48013, Spain.
Fernando P CossíoDepartment of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO-CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P° Manuel Lardizabal 3, Donostia/San Sebastián 20018, Spain.ORCID 0000-0002-4526-2122 Funding
No grant is acknowledged in the PubMed record.
6 · The paper itselfAbstract
Platinum-based chemotherapeutic agents, such as cisplatin (Cis-Pt(II)), are widely used in cancer treatment but are limited by toxicity, DNA repair by cancer cells, and drug resistance. To address these limitations, we designed and synthesized in our laboratories a novel platinum-based compound, Aurkine16. In our previous studies, Aurkine16 demonstrated outstanding therapeutic efficacy, selectively inducing double-strand DNA breaks in both naïve and cisplatin-resistant cancer cells, without detectable toxic side effects at clinically relevant doses. In the present work, we report a computational analysis of Aurkine16, which reveals its unique activation pathway and its capacity to form stable [Aurki-GGG]
Indexed as
Antineoplastic AgentsDNA Breaks, Double-StrandedMolecular Dynamics SimulationOrganoplatinum CompoundsPlatinumHumansAntineoplastic AgentsOrganoplatinum CompoundsPlatinum
Identifiers
PMID41273305
PMCPMC12801317
What OpenQuestion holds
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