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Drug repurposing for COVID-19 using machine learning and mechanistic models of signal transduction circuits related to SARS-CoV-2 infection

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dc.contributor.authorLoucera, Carlos
dc.contributor.authorEsteban-Medina, Marina
dc.contributor.authorRian, Kinza
dc.contributor.authorFalco, Matías M.
dc.contributor.authorDopazo, Joaquín
dc.contributor.authorPeña-Chilet, María
dc.contributor.authoraffiliation[Loucera,C; Esteban-Medina,M; Rian,K; Falco,MM; Dopazo,J; Peña-Chilet,M] Clinical Bioinformatics Area. Fundación Progreso y Salud (FPS). CDCA, Hospital Virgen del Rocio, Sevilla, Spain. [Loucera,C; Esteban-Medina,M; Falco,MM; Dopazo,J; Peña-Chilet,M] 2Computational Systems Medicine, Institute of Biomedicine of Seville (IBIS), Hospital Virgen del Rocio, Sevilla, Spain. [Falco,MM; Dopazo,J; Peña-Chilet,M] 3Bioinformatics in Rare Diseases (BiER). Centro de Investigación Biomédica en Red de Enfermedades Raras (CIBERER), FPS, Hospital Virgen del Rocío, Sevilla, Spain. [Dopazo,J]4Clinical Bioinformatics Area. Fundación Progreso y Salud (FPS). CDCA, Hospital Virgen del Rocio, Sevilla, Spain.
dc.contributor.funderThis work is supported by grants SAF2017-88908-R from the Spanish Ministry of Economy and Competitiveness, PT17/0009/0006, ACCI2018/29 from CIBER-ISCIII and COV20/00788 from the ISCIII, co-funded with European Regional Development Funds (ERDF), the grant “Large-scale drug repurposing in rare diseases by genomic Big Data analysis with machine learning methods” from the Fundación BBVA (G999088Q), as well as H2020 Programme of the European Union grants Marie Curie Innovative Training Network “Machine Learning Frontiers in Precision Medicine” (MLFPM) (GA 813533).
dc.date.accessioned2021-12-01T13:51:09Z
dc.date.available2021-12-01T13:51:09Z
dc.date.issued2020-12-11
dc.description.versionYeses_ES
dc.identifier.citationLoucera C, Esteban-Medina M, Rian K, Falco MM, Dopazo J, Peña-Chilet M. Drug repurposing for COVID-19 using machine learning and mechanistic models of signal transduction circuits related to SARS-CoV-2 infection. Signal Transduct Target Ther. 2020 Dec 11;5(1):290.es_ES
dc.identifier.doi10.1038/s41392-020-00417-yes_ES
dc.identifier.issn2059-3635
dc.identifier.pmcPMC7729141
dc.identifier.pmid33311438
dc.identifier.urihttp://hdl.handle.net/10668/3426
dc.journal.titleSignal Transduction and Targeted Therapy
dc.language.isoen
dc.page.number3 p.
dc.publisherSpringer Naturees_ES
dc.relation.publisherversionhttps://www.nature.com/articles/s41392-020-00417-yes_ES
dc.rightsAtribución 4.0 Internacional*
dc.rights.accessRightsopen access
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectCOVID-19es_ES
dc.subjectReposicionamiento de medicamentoses_ES
dc.subjectDrug repositioninges_ES
dc.subjectQuímica computacionales_ES
dc.subjectComputational chemistryes_ES
dc.subjectAprendizaje automáticoes_ES
dc.subjectMachine learninges_ES
dc.subjectTerapia molecular dirigidaes_ES
dc.subjectMolecular targeted therapyes_ES
dc.subjectSimulación del acoplamiento moleculares_ES
dc.subjectMolecular docking simulationes_ES
dc.subject.meshMedical Subject Headings::Diseases::Virus Diseases::RNA Virus Infections::Nidovirales Infections::Coronaviridae Infections::Coronavirus Infectionses_ES
dc.subject.meshMedical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humanses_ES
dc.subject.meshMedical Subject Headings::Information Science::Information Science::Computing Methodologies::Computer Simulation::Molecular Docking Simulationes_ES
dc.subject.meshMedical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Therapeutics::Drug Therapy::Molecular Targeted Therapyes_ES
dc.subject.meshMedical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteinses_ES
dc.subject.meshMedical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Biochemical Processes::Signal Transductiones_ES
dc.subject.meshMedical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Repositioninges_ES
dc.titleDrug repurposing for COVID-19 using machine learning and mechanistic models of signal transduction circuits related to SARS-CoV-2 infectionen
dc.typeletter
dc.type.hasVersionVoR
dspace.entity.typePublication

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