{"id":"https://openalex.org/W4306168627","doi":"https://doi.org/10.1021/acs.jcim.2c00596","title":"Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika","display_name":"Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika","publication_year":2022,"publication_date":"2022-10-14","ids":{"openalex":"https://openalex.org/W4306168627","doi":"https://doi.org/10.1021/acs.jcim.2c00596","pmid":"https://pubmed.ncbi.nlm.nih.gov/36239304"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00596","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00596","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":null,"license_id":null,"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":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9923514","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5028052016","display_name":"Melina Mottin","orcid":"https://orcid.org/0000-0003-0878-9029"},"institutions":[{"id":"https://openalex.org/I150729083","display_name":"Universidade de Bras\u00edlia","ror":"https://ror.org/02xfp8v59","country_code":"BR","type":"education","lineage":["https://openalex.org/I150729083"]},{"id":"https://openalex.org/I68106152","display_name":"Universidade Federal de Goi\u00e1s","ror":"https://ror.org/0039d5757","country_code":"BR","type":"education","lineage":["https://openalex.org/I68106152"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Melina Mottin","raw_affiliation_strings":["Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","Pathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia70910-900, Brazil"],"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","institution_ids":["https://openalex.org/I68106152"]},{"raw_affiliation_string":"Pathogen-Host Interface Laboratory, Department of Cell Biology, University of Brasilia, Brasilia70910-900, Brazil","institution_ids":["https://openalex.org/I150729083"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065328429","display_name":"Bruna Katiele de Paula Sousa","orcid":"https://orcid.org/0000-0002-3204-5591"},"institutions":[{"id":"https://openalex.org/I68106152","display_name":"Universidade Federal de Goi\u00e1s","ror":"https://ror.org/0039d5757","country_code":"BR","type":"education","lineage":["https://openalex.org/I68106152"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Bruna Katiele de Paula Sousa","raw_affiliation_strings":["Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil"],"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","institution_ids":["https://openalex.org/I68106152"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109410850","display_name":"Nathalya Cristina de Moraes Roso Mesquita","orcid":null},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Nathalya Cristina de Moraes Roso Mesquita","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000594711","display_name":"Ketllyn Irene Zagato de Oliveira","orcid":null},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Ketllyn Irene Zagato de Oliveira","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5104478313","display_name":"G.D. Noske","orcid":"https://orcid.org/0000-0002-6498-6521"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Gabriela Dias Noske","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035333015","display_name":"G. Sartori","orcid":"https://orcid.org/0000-0001-5613-7194"},"institutions":[{"id":"https://openalex.org/I52325","display_name":"Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08","country_code":"BR","type":"facility","lineage":["https://openalex.org/I52325"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Geraldo Rodrigues Sartori","raw_affiliation_strings":["Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil"],"affiliations":[{"raw_affiliation_string":"Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil","institution_ids":["https://openalex.org/I52325"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110741830","display_name":"Aline Albuquerque","orcid":null},"institutions":[{"id":"https://openalex.org/I52325","display_name":"Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08","country_code":"BR","type":"facility","lineage":["https://openalex.org/I52325"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Aline de Oliveira Albuquerque","raw_affiliation_strings":["Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil"],"affiliations":[{"raw_affiliation_string":"Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil","institution_ids":["https://openalex.org/I52325"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064159259","display_name":"Fabio Urbina","orcid":null},"institutions":[{"id":"https://openalex.org/I4210148032","display_name":"Collaborations Pharmaceuticals (United States)","ror":"https://ror.org/04m718665","country_code":"US","type":"company","lineage":["https://openalex.org/I4210148032"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Fabio Urbina","raw_affiliation_strings":["Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States"],"affiliations":[{"raw_affiliation_string":"Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States","institution_ids":["https://openalex.org/I4210148032"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059731044","display_name":"Ana C. Puhl","orcid":"https://orcid.org/0000-0002-1456-8882"},"institutions":[{"id":"https://openalex.org/I4210148032","display_name":"Collaborations Pharmaceuticals (United States)","ror":"https://ror.org/04m718665","country_code":"US","type":"company","lineage":["https://openalex.org/I4210148032"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ana C. Puhl","raw_affiliation_strings":["Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States"],"affiliations":[{"raw_affiliation_string":"Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States","institution_ids":["https://openalex.org/I4210148032"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068314406","display_name":"Jos\u00e9 Te\u00f3filo Moreira\u2010Filho","orcid":"https://orcid.org/0000-0002-0777-280X"},"institutions":[{"id":"https://openalex.org/I68106152","display_name":"Universidade Federal de Goi\u00e1s","ror":"https://ror.org/0039d5757","country_code":"BR","type":"education","lineage":["https://openalex.org/I68106152"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Te\u00f3filo Moreira-Filho","raw_affiliation_strings":["Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil"],"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","institution_ids":["https://openalex.org/I68106152"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013755965","display_name":"Guilherme de Souza","orcid":"https://orcid.org/0000-0003-3278-6688"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Guilherme E. Souza","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079070373","display_name":"Rafael V. C. Guido","orcid":"https://orcid.org/0000-0002-7187-0818"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Rafael V. C. Guido","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029916489","display_name":"Eugene Muratov","orcid":"https://orcid.org/0000-0003-4616-7036"},"institutions":[{"id":"https://openalex.org/I114027177","display_name":"University of North Carolina at Chapel Hill","ror":"https://ror.org/0130frc33","country_code":"US","type":"education","lineage":["https://openalex.org/I114027177"]},{"id":"https://openalex.org/I169045520","display_name":"Universidade Federal da Para\u00edba","ror":"https://ror.org/00p9vpz11","country_code":"BR","type":"education","lineage":["https://openalex.org/I169045520"]}],"countries":["BR","US"],"is_corresponding":false,"raw_author_name":"Eugene Muratov","raw_affiliation_strings":["Universidade Federal da Para\u00edba, Joao Pessoa, PB58051-900, Brazil","University of North Carolina at Chapel Hill, Chapel Hill, North Carolina27599, United States"],"affiliations":[{"raw_affiliation_string":"Universidade Federal da Para\u00edba, Joao Pessoa, PB58051-900, Brazil","institution_ids":["https://openalex.org/I169045520"]},{"raw_affiliation_string":"University of North Carolina at Chapel Hill, Chapel Hill, North Carolina27599, United States","institution_ids":["https://openalex.org/I114027177"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066121341","display_name":"Bruno J. Neves","orcid":"https://orcid.org/0000-0002-1309-8743"},"institutions":[{"id":"https://openalex.org/I68106152","display_name":"Universidade Federal de Goi\u00e1s","ror":"https://ror.org/0039d5757","country_code":"BR","type":"education","lineage":["https://openalex.org/I68106152"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Bruno Junior Neves","raw_affiliation_strings":["Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil"],"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","institution_ids":["https://openalex.org/I68106152"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007740622","display_name":"Jo\u00e3o Herm\u00ednio Martins da Silva","orcid":"https://orcid.org/0000-0003-1534-9857"},"institutions":[{"id":"https://openalex.org/I52325","display_name":"Funda\u00e7\u00e3o Oswaldo Cruz","ror":"https://ror.org/04jhswv08","country_code":"BR","type":"facility","lineage":["https://openalex.org/I52325"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Jo\u00e3o Herm\u00ednio Martins da Silva","raw_affiliation_strings":["Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil"],"affiliations":[{"raw_affiliation_string":"Funda\u00e7\u00e3o Oswaldo Cruz, Cear\u00e161773-270, Brazil","institution_ids":["https://openalex.org/I52325"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044473904","display_name":"Alex E. Clark","orcid":"https://orcid.org/0000-0003-1687-416X"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]},{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alex E. Clark","raw_affiliation_strings":["Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States"],"affiliations":[{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States","institution_ids":["https://openalex.org/I6750721","https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030040183","display_name":"Jair L. Siqueira-Neto","orcid":"https://orcid.org/0000-0001-9574-8174"},"institutions":[{"id":"https://openalex.org/I36258959","display_name":"University of California San Diego","ror":"https://ror.org/0168r3w48","country_code":"US","type":"education","lineage":["https://openalex.org/I36258959"]},{"id":"https://openalex.org/I6750721","display_name":"University of Montana","ror":"https://ror.org/0078xmk34","country_code":"US","type":"education","lineage":["https://openalex.org/I6750721"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jair L. Siqueira-Neto","raw_affiliation_strings":["Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States"],"affiliations":[{"raw_affiliation_string":"Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California92093, United States","institution_ids":["https://openalex.org/I6750721","https://openalex.org/I36258959"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052699020","display_name":"Alexander L. Perryman","orcid":null},"institutions":[{"id":"https://openalex.org/I102322142","display_name":"Rutgers, The State University of New Jersey","ror":"https://ror.org/05vt9qd57","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142"]},{"id":"https://openalex.org/I4402554120","display_name":"Rutgers New Jersey Medical School","ror":"https://ror.org/014ye1258","country_code":"US","type":"education","lineage":["https://openalex.org/I102322142","https://openalex.org/I4390039302","https://openalex.org/I4402554120"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Alexander L. Perryman","raw_affiliation_strings":["Department of Pharmacology, Physiology and Neuroscience, Rutgers University\u2212New Jersey Medical School, Newark, New Jersey07103, United States","Repare Therapeutics, 7210 Rue Frederick-Banting, Suite 100, Montreal, QCH4S 2A1, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, Physiology and Neuroscience, Rutgers University\u2212New Jersey Medical School, Newark, New Jersey07103, United States","institution_ids":["https://openalex.org/I102322142","https://openalex.org/I4402554120"]},{"raw_affiliation_string":"Repare Therapeutics, 7210 Rue Frederick-Banting, Suite 100, Montreal, QCH4S 2A1, Canada","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038446513","display_name":"Glaucius Oliva","orcid":"https://orcid.org/0000-0003-2719-0302"},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Glaucius Oliva","raw_affiliation_strings":["S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil"],"affiliations":[{"raw_affiliation_string":"S\u00e3o Carlos Institute of Physics, University of S\u00e3o Paulo, Avenida Jo\u00e3o Dagnone, 1100, S\u00e3o Carlos, S\u00e3o Paulo13563-120, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073973321","display_name":"Sean Ekins","orcid":"https://orcid.org/0000-0002-5691-5790"},"institutions":[{"id":"https://openalex.org/I4210148032","display_name":"Collaborations Pharmaceuticals (United States)","ror":"https://ror.org/04m718665","country_code":"US","type":"company","lineage":["https://openalex.org/I4210148032"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sean Ekins","raw_affiliation_strings":["Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States"],"affiliations":[{"raw_affiliation_string":"Collaborations Pharmaceuticals, Inc., Raleigh, North Carolina27606, United States","institution_ids":["https://openalex.org/I4210148032"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071012302","display_name":"Carolina Horta Andrade","orcid":"https://orcid.org/0000-0003-0101-1492"},"institutions":[{"id":"https://openalex.org/I68106152","display_name":"Universidade Federal de Goi\u00e1s","ror":"https://ror.org/0039d5757","country_code":"BR","type":"education","lineage":["https://openalex.org/I68106152"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Carolina Horta Andrade","raw_affiliation_strings":["Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil"],"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Modeling and Drug Design (LabMol), Faculdade de Farm\u00e1cia, Universidade Federal de Goi\u00e1s, Goi\u00e2nia, GO74605-170, Brazil","institution_ids":["https://openalex.org/I68106152"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":21,"corresponding_author_ids":["https://openalex.org/A5071012302"],"corresponding_institution_ids":["https://openalex.org/I68106152"],"apc_list":null,"apc_paid":null,"fwci":2.5947,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.89552918,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"62","issue":"24","first_page":"6825","last_page":"6843"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10166","display_name":"Mosquito-borne diseases and control","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"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/T10166","display_name":"Mosquito-borne diseases and control","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"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/T10091","display_name":"Malaria Research and Control","score":0.9768999814987183,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"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/T12047","display_name":"Viral Infections and Vectors","score":0.9509999752044678,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/zika-virus","display_name":"Zika virus","score":0.8476880788803101},{"id":"https://openalex.org/keywords/ns3","display_name":"NS3","score":0.6492518186569214},{"id":"https://openalex.org/keywords/arbovirus","display_name":"Arbovirus","score":0.6047438383102417},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5437745451927185},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.5062224268913269},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.5051367878913879},{"id":"https://openalex.org/keywords/protease","display_name":"Protease","score":0.4744105041027069},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4356227219104767},{"id":"https://openalex.org/keywords/rna-polymerase","display_name":"RNA polymerase","score":0.43275153636932373},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4095028042793274},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.40491437911987305},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3914220929145813},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.38540470600128174},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.31949469447135925},{"id":"https://openalex.org/keywords/virus","display_name":"Virus","score":0.23788508772850037},{"id":"https://openalex.org/keywords/rna","display_name":"RNA","score":0.18464115262031555},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1528065800666809}],"concepts":[{"id":"https://openalex.org/C2777053367","wikidata":"https://www.wikidata.org/wiki/Q202864","display_name":"Zika virus","level":3,"score":0.8476880788803101},{"id":"https://openalex.org/C132379496","wikidata":"https://www.wikidata.org/wiki/Q83141645","display_name":"NS3","level":4,"score":0.6492518186569214},{"id":"https://openalex.org/C2778116200","wikidata":"https://www.wikidata.org/wiki/Q630622","display_name":"Arbovirus","level":3,"score":0.6047438383102417},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5437745451927185},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.5062224268913269},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.5051367878913879},{"id":"https://openalex.org/C2776714187","wikidata":"https://www.wikidata.org/wiki/Q212410","display_name":"Protease","level":3,"score":0.4744105041027069},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4356227219104767},{"id":"https://openalex.org/C2776449523","wikidata":"https://www.wikidata.org/wiki/Q272631","display_name":"RNA polymerase","level":4,"score":0.43275153636932373},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4095028042793274},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.40491437911987305},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3914220929145813},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.38540470600128174},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.31949469447135925},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.23788508772850037},{"id":"https://openalex.org/C67705224","wikidata":"https://www.wikidata.org/wiki/Q11053","display_name":"RNA","level":3,"score":0.18464115262031555},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1528065800666809},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000071243","descriptor_name":"Zika Virus Infection","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000071243","descriptor_name":"Zika Virus Infection","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000071243","descriptor_name":"Zika Virus Infection","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000071243","descriptor_name":"Zika Virus Infection","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000071243","descriptor_name":"Zika Virus Infection","qualifier_ui":"Q000188","qualifier_name":"drug therapy","is_major_topic":false},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D000071244","descriptor_name":"Zika Virus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral 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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010447","descriptor_name":"Peptide Hydrolases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011480","descriptor_name":"Protease Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012324","descriptor_name":"RNA-Dependent RNA Polymerase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012324","descriptor_name":"RNA-Dependent RNA Polymerase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012324","descriptor_name":"RNA-Dependent RNA Polymerase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012324","descriptor_name":"RNA-Dependent RNA Polymerase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012324","descriptor_name":"RNA-Dependent RNA Polymerase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017361","descriptor_name":"Viral Nonstructural Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.2c00596","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00596","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:36239304","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36239304","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:9923514","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9923514","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:9923514","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9923514","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[{"display_name":"Partnerships for the goals","score":0.5,"id":"https://metadata.un.org/sdg/17"}],"awards":[{"id":"https://openalex.org/G1036976577","display_name":null,"funder_award_id":"202010267000272","funder_id":"https://openalex.org/F4320323204","funder_display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de Goi\u00e1s"},{"id":"https://openalex.org/G1997751802","display_name":null,"funder_award_id":"1R43GM122196-01","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G2991636765","display_name":null,"funder_award_id":"300508/2017-4","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G3662125556","display_name":null,"funder_award_id":"U19AI171292","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G510972860","display_name":null,"funder_award_id":"441038/2020-4","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G5112045210","display_name":null,"funder_award_id":"2013/07600-3","funder_id":"https://openalex.org/F4320320997","funder_display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo"},{"id":"https://openalex.org/G5426648756","display_name":null,"funder_award_id":"150759/2017-7","funder_id":"https://openalex.org/F4320322025","funder_display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico"},{"id":"https://openalex.org/G5859020988","display_name":null,"funder_award_id":"001","funder_id":"https://openalex.org/F4320321091","funder_display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior"},{"id":"https://openalex.org/G6759284560","display_name":null,"funder_award_id":"R44GM122196-02A1","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G8214261549","display_name":null,"funder_award_id":"20171026700006","funder_id":"https://openalex.org/F4320323204","funder_display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de Goi\u00e1s"},{"id":"https://openalex.org/G8440052630","display_name":null,"funder_award_id":"2020/12904-5","funder_id":"https://openalex.org/F4320320997","funder_display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo"}],"funders":[{"id":"https://openalex.org/F4320320997","display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","ror":"https://ror.org/02ddkpn78"},{"id":"https://openalex.org/F4320321091","display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","ror":"https://ror.org/00x0ma614"},{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"},{"id":"https://openalex.org/F4320323204","display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de Goi\u00e1s","ror":"https://ror.org/00w8cq239"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":119,"referenced_works":["https://openalex.org/W1500036797","https://openalex.org/W1510223697","https://openalex.org/W1629179716","https://openalex.org/W1757990252","https://openalex.org/W1918234658","https://openalex.org/W1973395347","https://openalex.org/W1976499671","https://openalex.org/W1980552333","https://openalex.org/W1995667567","https://openalex.org/W1996989387","https://openalex.org/W1999694850","https://openalex.org/W2028064829","https://openalex.org/W2028467360","https://openalex.org/W2040231819","https://openalex.org/W2043509228","https://openalex.org/W2049475242","https://openalex.org/W2054056331","https://openalex.org/W2056690166","https://openalex.org/W2057069496","https://openalex.org/W2065496099","https://openalex.org/W2074386125","https://openalex.org/W2085335543","https://openalex.org/W2085587542","https://openalex.org/W2105668062","https://openalex.org/W2106140689","https://openalex.org/W2114361850","https://openalex.org/W2114391475","https://openalex.org/W2121780828","https://openalex.org/W2122339645","https://openalex.org/W2130479394","https://openalex.org/W2134967712","https://openalex.org/W2143872403","https://openalex.org/W2151802394","https://openalex.org/W2163412375","https://openalex.org/W2165157662","https://openalex.org/W2176516200","https://openalex.org/W2198907191","https://openalex.org/W2265054258","https://openalex.org/W2288486409","https://openalex.org/W2299662534","https://openalex.org/W2316635052","https://openalex.org/W2316804442","https://openalex.org/W2332712348","https://openalex.org/W2409620131","https://openalex.org/W2412746331","https://openalex.org/W2413143224","https://openalex.org/W2463036497","https://openalex.org/W2466248380","https://openalex.org/W2485464167","https://openalex.org/W2514790758","https://openalex.org/W2518728671","https://openalex.org/W2537861668","https://openalex.org/W2558276421","https://openalex.org/W2560238333","https://openalex.org/W2561192435","https://openalex.org/W2561703516","https://openalex.org/W2564044205","https://openalex.org/W2572997664","https://openalex.org/W2575520328","https://openalex.org/W2581724919","https://openalex.org/W2590495675","https://openalex.org/W2593608883","https://openalex.org/W2598091636","https://openalex.org/W2599913756","https://openalex.org/W2600535178","https://openalex.org/W2603059939","https://openalex.org/W2611129948","https://openalex.org/W2615109422","https://openalex.org/W2620295310","https://openalex.org/W2771128043","https://openalex.org/W2779868062","https://openalex.org/W2784648999","https://openalex.org/W2784827262","https://openalex.org/W2791355014","https://openalex.org/W2792954732","https://openalex.org/W2798042901","https://openalex.org/W2800663287","https://openalex.org/W2800954542","https://openalex.org/W2805473026","https://openalex.org/W2806001393","https://openalex.org/W2806955986","https://openalex.org/W2807500957","https://openalex.org/W2809841748","https://openalex.org/W2900775063","https://openalex.org/W2911964244","https://openalex.org/W2914404799","https://openalex.org/W2917096347","https://openalex.org/W2932731310","https://openalex.org/W2942104049","https://openalex.org/W2943921080","https://openalex.org/W2953228602","https://openalex.org/W2959470419","https://openalex.org/W2963791884","https://openalex.org/W2975158828","https://openalex.org/W2980782247","https://openalex.org/W2990816940","https://openalex.org/W2999431688","https://openalex.org/W3000115619","https://openalex.org/W3017165458","https://openalex.org/W3021957408","https://openalex.org/W3047309963","https://openalex.org/W3048560933","https://openalex.org/W3097145107","https://openalex.org/W3118248704","https://openalex.org/W3131780971","https://openalex.org/W3137947489","https://openalex.org/W3152555148","https://openalex.org/W3159138649","https://openalex.org/W3164146723","https://openalex.org/W3180956394","https://openalex.org/W3189646261","https://openalex.org/W3210753995","https://openalex.org/W3217308626","https://openalex.org/W4210247638","https://openalex.org/W4210339468","https://openalex.org/W4223897958","https://openalex.org/W4230674625","https://openalex.org/W4239755135","https://openalex.org/W4389042402"],"related_works":["https://openalex.org/W2346492446","https://openalex.org/W4310704641","https://openalex.org/W2904256540","https://openalex.org/W2889179923","https://openalex.org/W2527816288","https://openalex.org/W2512863168","https://openalex.org/W2604602271","https://openalex.org/W2900775063","https://openalex.org/W2344644581","https://openalex.org/W2471771593"],"abstract_inverted_index":{"The":[0,362],"Zika":[1],"virus":[2],"(ZIKV)":[3],"is":[4],"a":[5,9,45,70,101,146,254,276],"neurotropic":[6],"arbovirus":[7],"considered":[8],"global":[10,46],"threat":[11],"to":[12,37,81,108,179,199,330,371],"public":[13],"health.":[14],"Although":[15],"there":[16,30],"have":[17],"been":[18],"several":[19],"efforts":[20,366],"in":[21,27,154,172,191,240],"drug":[22,71,302,332],"discovery":[23,299,333],"projects":[24,334],"for":[25,68,73,114,151,267,291,296,304,335,374],"ZIKV":[26,86,119,169,224,238],"recent":[28],"years,":[29],"are":[31,288],"still":[32],"no":[33,273],"antiviral":[34,278,347],"drugs":[35],"approved":[36],"date.":[38],"Here,":[39],"we":[40],"describe":[41],"the":[42,52,115,138,192,203,223,283,298,311,314,324,342,356,359,369],"results":[43],"of":[44,85,148,213,227,269,300,313,316,326,344,358,364],"collaborative":[47,328],"crowdsourced":[48],"open":[49],"science":[50],"project,":[51,54],"OpenZika":[53],"from":[55,177,197,234],"IBM's":[56],"World":[57],"Community":[58],"Grid":[59],"(WCG),":[60],"which":[61,164],"integrates":[62],"different":[63],"computational":[64,317,360],"and":[65,96,132,141,144,156,187,210,215,219,251,257,295,318,338,349,378],"experimental":[66,319],"strategies":[67],"advancing":[69,297],"candidate":[72],"ZIKV.":[74,281,305],"Initially,":[75],"molecular":[76],"docking":[77],"protocols":[78],"were":[79],"developed":[80],"identify":[82],"potential":[83,325],"inhibitors":[84],"NS5":[87,170,208],"RNA-dependent":[88],"RNA":[89],"polymerase":[90],"(NS5":[91,129],"RdRp),":[92],"NS3":[93,97],"protease":[94],"(NS2B-NS3pro),":[95],"helicase":[98],"(NS3hel).":[99],"Then,":[100],"machine":[102],"learning":[103],"(ML)":[104],"model":[105,140,266],"was":[106],"built":[107],"distinguish":[109],"active":[110],"vs":[111],"inactive":[112],"compounds":[113,150,163,183,204,248],"cytoprotective":[116,255,271,350],"effect":[117,256,279,351],"against":[118,168,280],"infection.":[120],"We":[121],"performed":[122],"three":[123],"independent":[124],"target-based":[125],"virtual":[126],"screening":[127],"campaigns":[128],"RdRp,":[130],"NS2B-NS3pro,":[131],"NS3hel),":[133],"followed":[134],"by":[135,137,237],"predictions":[136],"ML":[139,265],"other":[142],"filters,":[143],"prioritized":[145],"total":[147],"61":[149],"further":[152,301],"testing":[153],"enzymatic":[155,173],"phenotypic":[157],"assays.":[158,244],"This":[159],"yielded":[160],"five":[161],"non-nucleoside":[162],"showed":[165,188,253,275],"inhibitory":[166],"activity":[167,348],"RdRp":[171,209],"assays":[174],"(IC<sub>50</sub>":[175,212],"range":[176,194,196],"0.61":[178],"17":[180],"\u03bcM).":[181,201,229],"Two":[182],"thermally":[184,221],"destabilized":[185,222],"NS3hel":[186,225],"binding":[189],"affinity":[190],"micromolar":[193],"(<i>K</i><sub>d</sub>":[195],"9":[198],"35":[200,228],"Moreover,":[202],"LabMol-301":[205,250],"inhibited":[206],"both":[207],"NS2B-NS3pro":[211],"0.8":[214],"7.4":[216],"\u03bcM,":[217],"respectively)":[218],"LabMol-212":[220],"(K<sub>d</sub>":[226],"Both":[230],"also":[231],"protected":[232],"cells":[233],"death":[235],"induced":[236],"infection":[239],"<i>in":[241],"vitro</i>":[242],"cell-based":[243],"However,":[245],"while":[246],"eight":[247],"(including":[249],"LabMol-212)":[252],"prevented":[258],"ZIKV-induced":[259],"cell":[260],"death,":[261],"agreeing":[262],"with":[263,368],"our":[264],"prediction":[268],"this":[270,307],"effect,":[272],"compound":[274],"direct":[277,346],"Thus,":[282],"new":[284],"scaffolds":[285],"discovered":[286],"here":[287],"promising":[289],"hits":[290],"future":[292,375],"structural":[293],"optimization":[294],"candidates":[303],"Furthermore,":[306],"work":[308],"has":[309],"demonstrated":[310],"importance":[312,363],"integration":[315],"approaches,":[320],"as":[321,323],"well":[322],"large-scale":[327],"networks":[329],"advance":[331],"neglected":[336],"diseases":[337],"emerging":[339],"viruses,":[340],"despite":[341],"lack":[343],"available":[345],"data,":[352],"that":[353],"reflects":[354],"on":[355],"assertiveness":[357],"predictions.":[361],"these":[365],"rests":[367],"need":[370],"be":[372],"prepared":[373],"viral":[376],"epidemic":[377],"pandemic":[379],"outbreaks.":[380]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":2}],"updated_date":"2026-03-27T14:29:43.386196","created_date":"2025-10-10T00:00:00"}
