{"id":"https://openalex.org/W4416542157","doi":"https://doi.org/10.1021/acs.jcim.5c01654","title":"Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks","display_name":"Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks","publication_year":2025,"publication_date":"2025-11-22","ids":{"openalex":"https://openalex.org/W4416542157","doi":"https://doi.org/10.1021/acs.jcim.5c01654","pmid":"https://pubmed.ncbi.nlm.nih.gov/41273305"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5c01654","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01654","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1021/acs.jcim.5c01654","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5083385454","display_name":"Amanda Ribeiro Guimar\u00e3es","orcid":"https://orcid.org/0000-0001-8732-1699"},"institutions":[{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]},{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Amanda R. Guimar\u00e3es","raw_affiliation_strings":["Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"]},{"raw_affiliation_string":"Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080274257","display_name":"\u00d3scar R. Ballesteros","orcid":"https://orcid.org/0000-0002-5320-8505"},"institutions":[{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"\u00d3scar R. Ballesteros","raw_affiliation_strings":["Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082564332","display_name":"Iv\u00e1n Rivilla","orcid":"https://orcid.org/0000-0003-1984-7183"},"institutions":[{"id":"https://openalex.org/I110594554","display_name":"Ikerbasque","ror":"https://ror.org/01cc3fy72","country_code":"ES","type":"other","lineage":["https://openalex.org/I110594554"]},{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]},{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Iv\u00e1n Rivilla","raw_affiliation_strings":["Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain","IKERBASQUE, Basque Foundation for Science"],"raw_orcid":"https://orcid.org/0000-0003-1984-7183","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"]},{"raw_affiliation_string":"Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]},{"raw_affiliation_string":"IKERBASQUE, Basque Foundation for Science","institution_ids":["https://openalex.org/I110594554"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087992218","display_name":"Irene Olaizola","orcid":"https://orcid.org/0000-0002-5634-8909"},"institutions":[{"id":"https://openalex.org/I4210100188","display_name":"Biogipuzkoa Health Research Institute","ror":"https://ror.org/01a2wsa50","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210100188"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Irene Olaizola","raw_affiliation_strings":["Department of Liver and Gastrointestinal Diseases, Biogipuzkoa Health Research Institute - Donostia University Hospital -, University of the Basque Country (UPV/EHU), P\u00b0 Dr. Begiristain, s/n, Donostia-San Sebastian 20014, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Liver and Gastrointestinal Diseases, Biogipuzkoa Health Research Institute - Donostia University Hospital -, University of the Basque Country (UPV/EHU), P\u00b0 Dr. Begiristain, s/n, Donostia-San Sebastian 20014, Spain","institution_ids":["https://openalex.org/I4210100188"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076572908","display_name":"Mikel Odriozola\u2010Gimeno","orcid":"https://orcid.org/0000-0002-8007-4637"},"institutions":[{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]},{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Mikel Odriozola-Gimeno","raw_affiliation_strings":["Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026469375","display_name":"Abel de C\u00f3zar","orcid":"https://orcid.org/0000-0001-8430-4076"},"institutions":[{"id":"https://openalex.org/I110594554","display_name":"Ikerbasque","ror":"https://ror.org/01cc3fy72","country_code":"ES","type":"other","lineage":["https://openalex.org/I110594554"]},{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]},{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Abel de C\u00f3zar","raw_affiliation_strings":["Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","IKERBASQUE, Basque Foundation for Science"],"raw_orcid":"https://orcid.org/0000-0001-8430-4076","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"]},{"raw_affiliation_string":"IKERBASQUE, Basque Foundation for Science","institution_ids":["https://openalex.org/I110594554"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054817549","display_name":"David De Sancho","orcid":"https://orcid.org/0000-0002-8985-2685"},"institutions":[{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"David de Sancho","raw_affiliation_strings":["Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain"],"raw_orcid":"https://orcid.org/0000-0002-8985-2685","affiliations":[{"raw_affiliation_string":"Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038379755","display_name":"Xabier L\u00f3pez","orcid":"https://orcid.org/0000-0002-2711-3588"},"institutions":[{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Xabier Lopez","raw_affiliation_strings":["Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain"],"raw_orcid":"https://orcid.org/0000-0002-2711-3588","affiliations":[{"raw_affiliation_string":"Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia & Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084083958","display_name":"Jes\u00fas M. Ba\u00f1ales","orcid":"https://orcid.org/0000-0002-5224-2373"},"institutions":[{"id":"https://openalex.org/I110594554","display_name":"Ikerbasque","ror":"https://ror.org/01cc3fy72","country_code":"ES","type":"other","lineage":["https://openalex.org/I110594554"]},{"id":"https://openalex.org/I2801357902","display_name":"Instituto de Salud Carlos III","ror":"https://ror.org/00ca2c886","country_code":"ES","type":"funder","lineage":["https://openalex.org/I2801357902","https://openalex.org/I4387152914"]},{"id":"https://openalex.org/I4210086417","display_name":"Instituto de Salud P\u00fablica de Navarra","ror":"https://ror.org/000ep5m48","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210086417","https://openalex.org/I4210088234"]},{"id":"https://openalex.org/I4210100188","display_name":"Biogipuzkoa Health Research Institute","ror":"https://ror.org/01a2wsa50","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210100188"]},{"id":"https://openalex.org/I88155538","display_name":"Universidad de Navarra","ror":"https://ror.org/02rxc7m23","country_code":"ES","type":"education","lineage":["https://openalex.org/I88155538"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jesus M. Banales","raw_affiliation_strings":["Department of Liver and Gastrointestinal Diseases, Biogipuzkoa Health Research Institute - Donostia University Hospital -, University of the Basque Country (UPV/EHU), P\u00b0 Dr. Begiristain, s/n, Donostia-San Sebastian 20014, Spain","IKERBASQUE, Basque Foundation for Science","National Institute for the Study of Liver and Gastrointestinal Diseases (CIBERehd, \u2033Instituto de Salud Carlos III\u2033) &Department of Biochemistry and Genetics, School of Sciences, University of Navarra, C/Irunlarrea, 1, Pamplona 31008, Navarra, Spain","IKERBASQUE, Basque Foundation for Science, Ma Diaz de Haro 3, Bilbao 48013, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Liver and Gastrointestinal Diseases, Biogipuzkoa Health Research Institute - Donostia University Hospital -, University of the Basque Country (UPV/EHU), P\u00b0 Dr. Begiristain, s/n, Donostia-San Sebastian 20014, Spain","institution_ids":["https://openalex.org/I4210100188"]},{"raw_affiliation_string":"IKERBASQUE, Basque Foundation for Science","institution_ids":["https://openalex.org/I110594554"]},{"raw_affiliation_string":"National Institute for the Study of Liver and Gastrointestinal Diseases (CIBERehd, \u2033Instituto de Salud Carlos III\u2033) &Department of Biochemistry and Genetics, School of Sciences, University of Navarra, C/Irunlarrea, 1, Pamplona 31008, Navarra, Spain","institution_ids":["https://openalex.org/I2801357902","https://openalex.org/I4210086417","https://openalex.org/I88155538"]},{"raw_affiliation_string":"IKERBASQUE, Basque Foundation for Science, Ma Diaz de Haro 3, Bilbao 48013, Spain","institution_ids":["https://openalex.org/I110594554"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015809186","display_name":"Fernando P. Coss\u00edo","orcid":"https://orcid.org/0000-0002-4526-2122"},"institutions":[{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]},{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Fernando P. Coss\u00edo","raw_affiliation_strings":["Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain"],"raw_orcid":"https://orcid.org/0000-0002-4526-2122","affiliations":[{"raw_affiliation_string":"Department of Organic Chemistry I, Center of Innovation in Advanced Chemistry (ORFEO\u2212CINQA), Faculty of Chemistry, University of the Basque Country (UPV/EHU), P\u00b0 Manuel Lardizabal 3, Donostia/San Sebasti\u00e1n 20018, Spain","institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"]},{"raw_affiliation_string":"Donostia International Physics Center (DIPC), P\u00b0 Manuel Lardizabal 4, Donostia/San Sebastian 20018, Spain","institution_ids":["https://openalex.org/I47686490"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5015809186","https://openalex.org/A5080274257","https://openalex.org/A5083385454"],"corresponding_institution_ids":["https://openalex.org/I169108374","https://openalex.org/I47686490"],"apc_list":null,"apc_paid":null,"fwci":0.4899,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.70967233,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":97},"biblio":{"volume":"66","issue":"1","first_page":"668","last_page":"683"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.5576000213623047,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.5576000213623047,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10492","display_name":"Microtubule and mitosis dynamics","score":0.03359999880194664,"subfield":{"id":"https://openalex.org/subfields/1307","display_name":"Cell Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10123","display_name":"DNA Repair Mechanisms","score":0.020999999716877937,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.698199987411499},{"id":"https://openalex.org/keywords/histone","display_name":"Histone","score":0.6230999827384949},{"id":"https://openalex.org/keywords/nucleic-acid","display_name":"Nucleic acid","score":0.5716000199317932},{"id":"https://openalex.org/keywords/nucleosome","display_name":"Nucleosome","score":0.5231999754905701},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.4794999957084656},{"id":"https://openalex.org/keywords/cisplatin","display_name":"Cisplatin","score":0.47600001096725464},{"id":"https://openalex.org/keywords/dna-damage","display_name":"DNA damage","score":0.4641000032424927},{"id":"https://openalex.org/keywords/cancer-cell","display_name":"Cancer cell","score":0.42250001430511475},{"id":"https://openalex.org/keywords/dna-repair","display_name":"DNA repair","score":0.41940000653266907}],"concepts":[{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.698199987411499},{"id":"https://openalex.org/C64927066","wikidata":"https://www.wikidata.org/wiki/Q36293","display_name":"Histone","level":3,"score":0.6230999827384949},{"id":"https://openalex.org/C24107716","wikidata":"https://www.wikidata.org/wiki/Q123619","display_name":"Nucleic acid","level":2,"score":0.5716000199317932},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5407000184059143},{"id":"https://openalex.org/C84772758","wikidata":"https://www.wikidata.org/wiki/Q271794","display_name":"Nucleosome","level":4,"score":0.5231999754905701},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4884999990463257},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.4794999957084656},{"id":"https://openalex.org/C2778239845","wikidata":"https://www.wikidata.org/wiki/Q412415","display_name":"Cisplatin","level":3,"score":0.47600001096725464},{"id":"https://openalex.org/C143425029","wikidata":"https://www.wikidata.org/wiki/Q5205747","display_name":"DNA damage","level":3,"score":0.4641000032424927},{"id":"https://openalex.org/C96232424","wikidata":"https://www.wikidata.org/wiki/Q4118072","display_name":"Cancer cell","level":3,"score":0.42250001430511475},{"id":"https://openalex.org/C134935766","wikidata":"https://www.wikidata.org/wiki/Q210538","display_name":"DNA repair","level":3,"score":0.41940000653266907},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.39070001244544983},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.3837999999523163},{"id":"https://openalex.org/C83640560","wikidata":"https://www.wikidata.org/wiki/Q180951","display_name":"Chromatin","level":3,"score":0.3702000081539154},{"id":"https://openalex.org/C3018146709","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Anticancer drug","level":3,"score":0.3538999855518341},{"id":"https://openalex.org/C3019816032","wikidata":"https://www.wikidata.org/wiki/Q2575340","display_name":"Cancer treatment","level":3,"score":0.34549999237060547},{"id":"https://openalex.org/C41091548","wikidata":"https://www.wikidata.org/wiki/Q26939","display_name":"Epigenetics","level":3,"score":0.33739998936653137},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.32409998774528503},{"id":"https://openalex.org/C3020340455","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Cancer drugs","level":3,"score":0.3224000036716461},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.319599986076355},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.2937999963760376},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.2712000012397766},{"id":"https://openalex.org/C2909513124","wikidata":"https://www.wikidata.org/wiki/Q210538","display_name":"DNA Damage Repair","level":4,"score":0.26249998807907104},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.2599000036716461},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.25929999351501465},{"id":"https://openalex.org/C191961535","wikidata":"https://www.wikidata.org/wiki/Q2360205","display_name":"A-DNA","level":3,"score":0.2590999901294708},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.25529998540878296},{"id":"https://openalex.org/C2983331546","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer therapy","level":3,"score":0.25130000710487366}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009944","descriptor_name":"Organoplatinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010984","descriptor_name":"Platinum","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D053903","descriptor_name":"DNA Breaks, Double-Stranded","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D053903","descriptor_name":"DNA Breaks, Double-Stranded","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D053903","descriptor_name":"DNA Breaks, Double-Stranded","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D053903","descriptor_name":"DNA Breaks, Double-Stranded","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5c01654","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01654","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:41273305","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41273305","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:12801317","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12801317/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.5c01654","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5c01654","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2353061127","display_name":"In silico design and assessment of novel polyelectrophylic chemotherapy agents","funder_award_id":"101026616","funder_id":"https://openalex.org/F4320338337","funder_display_name":"H2020 Marie Sk\u0142odowska-Curie Actions"},{"id":"https://openalex.org/G2762384128","display_name":null,"funder_award_id":"TRNSC259889COSS to FPC","funder_id":"https://openalex.org/F4320321411","funder_display_name":"Fundaci\u00f3n Cient\u00edfica Asociaci\u00f3n Espa\u00f1ola Contra el C\u00e1ncer"},{"id":"https://openalex.org/G3021920518","display_name":null,"funder_award_id":"IT1553-22","funder_id":"https://openalex.org/F7311471023","funder_display_name":"NextGenerationEU"},{"id":"https://openalex.org/G3025494431","display_name":null,"funder_award_id":"ERC-SYG-951281","funder_id":"https://openalex.org/F4320338335","funder_display_name":"H2020 European Research Council"},{"id":"https://openalex.org/G3055658426","display_name":null,"funder_award_id":"AC25/00030 to JMB","funder_id":"https://openalex.org/F4320334923","funder_display_name":"Instituto de Salud Carlos III"},{"id":"https://openalex.org/G3116004781","display_name":null,"funder_award_id":"PID2023-151549NB-100","funder_id":"https://openalex.org/F4320315062","funder_display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades"},{"id":"https://openalex.org/G3282391788","display_name":null,"funder_award_id":"TRNSC259880BANA to JMB","funder_id":"https://openalex.org/F4320321411","funder_display_name":"Fundaci\u00f3n Cient\u00edfica Asociaci\u00f3n Espa\u00f1ola Contra el C\u00e1ncer"},{"id":"https://openalex.org/G3746106327","display_name":null,"funder_award_id":"FIS PI24/00148","funder_id":"https://openalex.org/F4320334923","funder_display_name":"Instituto de Salud Carlos III"},{"id":"https://openalex.org/G3993831406","display_name":null,"funder_award_id":"PID2021-127907NB-I00","funder_id":"https://openalex.org/F4320315062","funder_display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades"},{"id":"https://openalex.org/G4145092631","display_name":null,"funder_award_id":"2022333032","funder_id":"https://openalex.org/F4320321705","funder_display_name":"Eusko Jaurlaritza"},{"id":"https://openalex.org/G435022861","display_name":null,"funder_award_id":"IT158422","funder_id":"https://openalex.org/F4320321705","funder_display_name":"Eusko Jaurlaritza"},{"id":"https://openalex.org/G5345693789","display_name":null,"funder_award_id":"2021333003","funder_id":"https://openalex.org/F4320321705","funder_display_name":"Eusko Jaurlaritza"},{"id":"https://openalex.org/G5806008394","display_name":null,"funder_award_id":"IT1553_22","funder_id":"https://openalex.org/F4320321705","funder_display_name":"Eusko Jaurlaritza"},{"id":"https://openalex.org/G6154475984","display_name":null,"funder_award_id":"2020333010","funder_id":"https://openalex.org/F4320321705","funder_display_name":"Eusko Jaurlaritza"},{"id":"https://openalex.org/G6298324428","display_name":null,"funder_award_id":"AC25/00070 to FPC","funder_id":"https://openalex.org/F4320334923","funder_display_name":"Instituto de Salud Carlos III"},{"id":"https://openalex.org/G89668360","display_name":null,"funder_award_id":"RED2022\u2010134287\u2010T","funder_id":"https://openalex.org/F4320315062","funder_display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades"}],"funders":[{"id":"https://openalex.org/F3501009824","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40"},{"id":"https://openalex.org/F4320315062","display_name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades","ror":null},{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320321411","display_name":"Fundaci\u00f3n Cient\u00edfica Asociaci\u00f3n Espa\u00f1ola Contra el C\u00e1ncer","ror":"https://ror.org/00gxct719"},{"id":"https://openalex.org/F4320321705","display_name":"Eusko Jaurlaritza","ror":"https://ror.org/00pz2fp31"},{"id":"https://openalex.org/F4320322262","display_name":"Ikerbasque, Basque Foundation for Science","ror":"https://ror.org/01cc3fy72"},{"id":"https://openalex.org/F4320334923","display_name":"Instituto de Salud Carlos III","ror":"https://ror.org/00ca2c886"},{"id":"https://openalex.org/F4320335322","display_name":"European Regional Development Fund","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320338335","display_name":"H2020 European Research Council","ror":"https://ror.org/0472cxd90"},{"id":"https://openalex.org/F4320338337","display_name":"H2020 Marie Sk\u0142odowska-Curie Actions","ror":null},{"id":"https://openalex.org/F7311471023","display_name":"NextGenerationEU","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W1476207571","https://openalex.org/W1532969402","https://openalex.org/W1534849470","https://openalex.org/W1969189143","https://openalex.org/W1976161355","https://openalex.org/W1976453250","https://openalex.org/W1976499671","https://openalex.org/W1976874431","https://openalex.org/W1978189250","https://openalex.org/W1979266847","https://openalex.org/W1987604182","https://openalex.org/W1988091937","https://openalex.org/W1990039009","https://openalex.org/W1997151511","https://openalex.org/W1998142259","https://openalex.org/W2001942134","https://openalex.org/W2004125597","https://openalex.org/W2004288169","https://openalex.org/W2012108057","https://openalex.org/W2015688756","https://openalex.org/W2021246005","https://openalex.org/W2029667189","https://openalex.org/W2031861980","https://openalex.org/W2032183039","https://openalex.org/W2035687084","https://openalex.org/W2036060298","https://openalex.org/W2039390366","https://openalex.org/W2059929101","https://openalex.org/W2066053481","https://openalex.org/W2070150128","https://openalex.org/W2074217466","https://openalex.org/W2083164919","https://openalex.org/W2090196960","https://openalex.org/W2092157292","https://openalex.org/W2096747776","https://openalex.org/W2105879198","https://openalex.org/W2106140689","https://openalex.org/W2114180794","https://openalex.org/W2120531597","https://openalex.org/W2122023026","https://openalex.org/W2130177169","https://openalex.org/W2132629607","https://openalex.org/W2143981217","https://openalex.org/W2145538324","https://openalex.org/W2147993766","https://openalex.org/W2151553287","https://openalex.org/W2164277862","https://openalex.org/W2204959575","https://openalex.org/W2275563446","https://openalex.org/W2313116527","https://openalex.org/W2332712348","https://openalex.org/W2523439442","https://openalex.org/W2523657987","https://openalex.org/W2540491215","https://openalex.org/W2593529968","https://openalex.org/W2747764549","https://openalex.org/W2910282721","https://openalex.org/W2924702694","https://openalex.org/W2940844549","https://openalex.org/W2949498405","https://openalex.org/W2969669884","https://openalex.org/W2972751083","https://openalex.org/W3136513031","https://openalex.org/W3138714104","https://openalex.org/W3155966349","https://openalex.org/W3214018575","https://openalex.org/W4200226556","https://openalex.org/W4385603701","https://openalex.org/W4387440676","https://openalex.org/W4388522968","https://openalex.org/W4393951381","https://openalex.org/W4410053808"],"related_works":[],"abstract_inverted_index":{"High":[0],"Resolution":[1],"Image":[2],"Download":[3],"MS":[4],"PowerPoint":[5],"Slide":[6],"Platinum-based":[7],"chemotherapeutic":[8],"agents,":[9],"such":[10],"as":[11,171],"cisplatin":[12],"(Cis-Pt(II)),":[13],"are":[14,21],"widely":[15],"used":[16],"in":[17,41,63],"cancer":[18,28,68,138,164],"treatment":[19],"but":[20],"limited":[22],"by":[23,27],"toxicity,":[24],"DNA":[25,61,110,123],"repair":[26],"cells,":[29,69,139],"and":[30,39,66,96,121],"drug":[31],"resistance.":[32],"To":[33],"address":[34],"these":[35],"limitations,":[36],"we":[37,83],"designed":[38],"synthesized":[40],"our":[42,50],"laboratories":[43],"a":[44,85,172],"novel":[45],"platinum-based":[46,176],"compound,":[47],"Aurkine16.":[48],"In":[49,79],"previous":[51],"studies,":[52],"Aurkine16":[53,112,131,170],"demonstrated":[54],"outstanding":[55],"therapeutic":[56],"efficacy,":[57],"selectively":[58],"inducing":[59],"double-strand":[60,119],"breaks":[62,120],"both":[64],"na\u00efve":[65],"cisplatin-resistant":[67],"without":[70],"detectable":[71],"toxic":[72],"side":[73],"effects":[74],"at":[75],"clinically":[76],"relevant":[77],"doses.":[78],"the":[80,144,151],"present":[81],"work,":[82],"report":[84],"computational":[86,167],"analysis":[87],"of":[88],"Aurkine16,":[89],"which":[90,107],"reveals":[91],"its":[92,97,158],"unique":[93],"activation":[94],"pathway":[95],"capacity":[98],"to":[99,134,150,175],"form":[100],"stable":[101],"[Aurki-GGG]":[102],"3+":[103],"complexes.":[104],"Unlike":[105],"Cis-Pt(II),":[106],"induces":[108],"single-strand":[109],"breaks,":[111],"simultaneously":[113],"targets":[114],"multiple":[115],"nucleic":[116],"bases,":[117],"causing":[118],"significant":[122],"disruption.":[124],"Additionally,":[125],"molecular":[126],"dynamics":[127],"simulations":[128],"suggest":[129],"that":[130],"is":[132],"likely":[133],"exhibit":[135],"specificity":[136],"for":[137,160,179],"avoiding":[140],"off-target":[141],"interactions":[142],"within":[143],"nucleosome":[145],"core.":[146],"This":[147],"selectivity,":[148],"attributed":[149],"steric":[152],"hindrance":[153],"from":[154],"histone":[155],"tails,":[156],"underscores":[157],"potential":[159],"effectively":[161],"targeting":[162],"chromatin-accessible":[163],"cells.":[165],"These":[166],"findings":[168],"position":[169],"promising":[173],"alternative":[174],"drugs,":[177],"particularly":[178],"CisPt-resistant":[180],"cancers.":[181]},"counts_by_year":[{"year":2026,"cited_by_count":1}],"updated_date":"2026-08-01T09:00:35.917206","created_date":"2025-11-23T00:00:00"}