{"id":"https://openalex.org/W7224686558","doi":null,"title":"Desarrollo y validaci\u00f3n de una plataforma in silico para el dise\u00f1o racional de nuevos f\u00e1rmacos antichag\u00e1sicos inhibidores de cruzipa\u00edna","display_name":"Desarrollo y validaci\u00f3n de una plataforma in silico para el dise\u00f1o racional de nuevos f\u00e1rmacos antichag\u00e1sicos inhibidores de cruzipa\u00edna","publication_year":2024,"publication_date":"2024-01-01","ids":{"openalex":"https://openalex.org/W7224686558"},"language":"es","primary_location":{"id":"pmh:oai:sedici.unlp.edu.ar:10915/200667","doi":null,"is_oa":true,"landing_page_url":"https://sedici.unlp.edu.ar/handle/10915/200667","pdf_url":"https://sedici.unlp.edu.ar/bitstream/handle/10915/200667/Documento_completo.pdf?sequence=1","source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"},"volume":null,"type":"conference-paper","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://sedici.unlp.edu.ar/bitstream/handle/10915/200667/Documento_completo.pdf?sequence=1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5057424264","display_name":"Juan Pablo Cerutti","orcid":"https://orcid.org/0000-0003-2271-5050","observed_orcids":["https://orcid.org/0000-0003-2271-5050"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Cerutti, Juan Pablo","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5154833609","display_name":"Wim Dehaen","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I99464096","display_name":"KU Leuven","ror":"https://ror.org/05f950310","country_code":"BE","type":"education","lineage":["https://openalex.org/I99464096"]}],"countries":["BE"],"is_corresponding":false,"raw_author_name":"Dehaen, Wim","raw_affiliation_strings":[") Laboratory of Organic Synthesis , Department of Chemistry , KU Leuven , Leuven , B\u00e9lgica"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":") Laboratory of Organic Synthesis , Department of Chemistry , KU Leuven , Leuven , B\u00e9lgica","institution_ids":["https://openalex.org/I99464096"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071150930","display_name":"Mario A. Quevedo","orcid":"https://orcid.org/0000-0002-7891-7834","observed_orcids":["https://orcid.org/0000-0002-7891-7834"]},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I166401450","display_name":"Universidad Nacional de C\u00f3rdoba","ror":"https://ror.org/056tb7j80","country_code":"AR","type":"education","lineage":["https://openalex.org/I166401450"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Quevedo, Mario A.","raw_affiliation_strings":["( ) Unidad de Investigaci\u00f3n y Desarrollo en Tecnolog\u00eda Farmac\u00e9utica ( UNITEFA-CONICET) , C\u00f3rdoba , Argentina;",") MedChem Lab , Departamento de Ciencias Farmac\u00e9uticas , FCQ-UNC , C\u00f3rdoba , Argentina"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"( ) Unidad de Investigaci\u00f3n y Desarrollo en Tecnolog\u00eda Farmac\u00e9utica ( UNITEFA-CONICET) , C\u00f3rdoba , Argentina;","institution_ids":["https://openalex.org/I151201029"]},{"raw_affiliation_string":") MedChem Lab , Departamento de Ciencias Farmac\u00e9uticas , FCQ-UNC , C\u00f3rdoba , Argentina","institution_ids":["https://openalex.org/I166401450"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.50850662,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9794999957084656,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9794999957084656,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.007000000216066837,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10890","display_name":"Trypanosoma species research and implications","score":0.006200000178068876,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/cruzipain","display_name":"cruzipain","score":0.9290000200271606},{"id":"https://openalex.org/keywords/trypanosoma-cruzi","display_name":"Trypanosoma cruzi","score":0.9639999866485596},{"id":"https://openalex.org/keywords/chagas-disease","display_name":"Chagas disease","score":0.8640000224113464},{"id":"https://openalex.org/keywords/cysteine-protease-inhibitors","display_name":"cysteine protease inhibitors","score":0.8820000290870667},{"id":"https://openalex.org/keywords/structure-based-drug-design","display_name":"structure-based drug design","score":0.8510000109672546},{"id":"https://openalex.org/keywords/1-2-3-triazoles","display_name":"1,2,3-triazoles","score":0.8259999752044678},{"id":"https://openalex.org/keywords/warheads","display_name":"warheads","score":0.5149999856948853},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.7599999904632568},{"id":"https://openalex.org/keywords/ionization-state","display_name":"ionization state","score":0.7419999837875366}],"concepts":[{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5806000232696533},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.42250001430511475},{"id":"https://openalex.org/C15708023","wikidata":"https://www.wikidata.org/wiki/Q80083","display_name":"Humanities","level":1,"score":0.374099999666214},{"id":"https://openalex.org/C153911025","wikidata":"https://www.wikidata.org/wiki/Q7202","display_name":"Molecular biology","level":1,"score":0.36079999804496765},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.2903999984264374},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.26809999346733093},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.2574999928474426},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24529999494552612},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.19900000095367432},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.19259999692440033}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:sedici.unlp.edu.ar:10915/200667","doi":null,"is_oa":true,"landing_page_url":"https://sedici.unlp.edu.ar/handle/10915/200667","pdf_url":"https://sedici.unlp.edu.ar/bitstream/handle/10915/200667/Documento_completo.pdf?sequence=1","source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"}],"best_oa_location":{"id":"pmh:oai:sedici.unlp.edu.ar:10915/200667","doi":null,"is_oa":true,"landing_page_url":"https://sedici.unlp.edu.ar/handle/10915/200667","pdf_url":"https://sedici.unlp.edu.ar/bitstream/handle/10915/200667/Documento_completo.pdf?sequence=1","source":{"id":"https://openalex.org/S4306400803","display_name":"El Servicio de Difusi\u00f3n de la Creaci\u00f3n Intelectual (National University of La Plata)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I874386039","host_organization_name":"Universidad Nacional de La Plata","host_organization_lineage":["https://openalex.org/I874386039"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Objeto de conferencia"},"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.5683000087738037}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7224686558.pdf","grobid_xml":"https://content.openalex.org/works/W7224686558.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W1574102765","https://openalex.org/W2621233869","https://openalex.org/W7222772084","https://openalex.org/W4402270443","https://openalex.org/W7120872227","https://openalex.org/W6981680093","https://openalex.org/W7223418285","https://openalex.org/W7120348177","https://openalex.org/W7120596442","https://openalex.org/W7224684445"],"abstract_inverted_index":{"Cruzipa\u00edna":[0],"(CZP)":[1],"es":[2],"la":[3,14,25,28,139,162],"principal":[4],"ciste\u00edna":[5],"proteasa":[6],"de":[7,13,16,35,45,52,69,72,104,114,122,135,142,152,166,174,177,185],"T.":[8],"cruzi,":[9],"el":[10,21,38,85,101,120,150,159],"agente":[11],"causal":[12],"enfermedad":[15],"Chagas.":[17],"Su":[18],"relevancia":[19,127],"en":[20,42,60,84],"ciclo":[22],"vital":[23],"y":[24,82,100,137,161],"infectividad":[26],"parasitaria":[27],"han":[29],"posicionado":[30],"como":[31,56,76,88,145,183],"un":[32,67,167],"blanco":[33],"terap\u00e9utico":[34],"inter\u00e9s":[36],"para":[37],"dise\u00f1o":[39],"racional":[40],"basado":[41],"estructuras":[43],"(SBDD)":[44],"nuevos":[46,175],"f\u00e1rmacos":[47],"antichag\u00e1sicos,":[48],"con":[49],"numerosos":[50],"ejemplos":[51],"inhibidores":[53,176],"tanto":[54],"covalentes":[55,58],"no":[57,111],"reportados":[59,182],"literatura.":[61],"Dentro":[62],"del":[63,90,95],"primer":[64],"grupo":[65,77,86],"destaca":[66],"set":[68,184],"20":[70],"derivados":[71],"tetrafluorofenoximetil":[73],"cetona":[74],"(4FPMK)":[75],"reactivo":[78],"o":[79],"\"warhead\u201d":[80],"(WH)":[81],"centrados":[83],"1,2,3-triazol":[87],"biois\u00f3stero":[89],"enlace":[91],"pept\u00eddico.[1]":[92],"A":[93],"pesar":[94],"escaso":[96],"espacio":[97],"qu\u00edmico":[98],"explorado":[99],"amplio":[102],"rango":[103],"potencias":[105],"reportadas":[106],"(IC50:":[107],"0.003":[108],"a":[109,132,138,164],"23\u03bcM),":[110],"existen":[112],"reportes":[113],"estudios":[115],"in":[116,169],"silico":[117,170],"que":[118,147],"fundamenten":[119],"SAR":[121],"estos":[123],"inhibidores.":[124],"Asimismo,":[125],"escasa":[126],"se":[128,157],"le":[129],"ha":[130],"dado":[131],"los":[133,143,180],"estados":[134],"ionizaci\u00f3n":[136],"configuraci\u00f3n":[140],"espacial":[141],"ligandos":[144],"factores":[146],"puedan":[148],"afectar":[149],"reconocimiento":[151],"CZP.":[153],"En":[154],"este":[155],"contexto,":[156],"plantea":[158],"desarrollo":[160],"puesta":[163],"punto":[165],"workflow":[168],"destinado":[171],"al":[172],"SBDD":[173],"CZP":[178],"empleando":[179],"4FPMK":[181],"entrenamiento.":[186]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2026-10-30T00:00:00"}
