Publication: 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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Identifiers
Date
2020-12-11
Authors
Loucera, Carlos
Esteban-Medina, Marina
Rian, Kinza
Falco, Matías M.
Dopazo, Joaquín
Peña-Chilet, María
Advisors
Journal Title
Journal ISSN
Volume Title
Publisher
Springer Nature
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Abstract
Description
MeSH Terms
Medical Subject Headings::Diseases::Virus Diseases::RNA Virus Infections::Nidovirales Infections::Coronaviridae Infections::Coronavirus Infections
Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans
Medical Subject Headings::Information Science::Information Science::Computing Methodologies::Computer Simulation::Molecular Docking Simulation
Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Therapeutics::Drug Therapy::Molecular Targeted Therapy
Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins
Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Biochemical Processes::Signal Transduction
Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Repositioning
Medical Subject Headings::Organisms::Eukaryota::Animals::Chordata::Vertebrates::Mammals::Primates::Haplorhini::Catarrhini::Hominidae::Humans
Medical Subject Headings::Information Science::Information Science::Computing Methodologies::Computer Simulation::Molecular Docking Simulation
Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Therapeutics::Drug Therapy::Molecular Targeted Therapy
Medical Subject Headings::Chemicals and Drugs::Amino Acids, Peptides, and Proteins::Proteins
Medical Subject Headings::Phenomena and Processes::Chemical Phenomena::Biochemical Phenomena::Biochemical Processes::Signal Transduction
Medical Subject Headings::Analytical, Diagnostic and Therapeutic Techniques and Equipment::Investigative Techniques::Drug Discovery::Drug Repositioning
DeCS Terms
CIE Terms
Keywords
COVID-19, Reposicionamiento de medicamentos, Drug repositioning, Química computacional, Computational chemistry, Aprendizaje automático, Machine learning, Terapia molecular dirigida, Molecular targeted therapy, Simulación del acoplamiento molecular, Molecular docking simulation
Citation
Loucera 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.