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

Carlos Loucera; Marina Esteban-Medina; Kinza Rian; Matías M Falco; Joaquín Dopazo; María Peña-Chilet

doi:10.1038/s41392-020-00417-y

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. doi: 10.1038/s41392-020-00417-y.

Authors

Carlos Loucera^{1

2}, Marina Esteban-Medina^{1

2}, Kinza Rian¹, Matías M Falco^{1

2

3}, Joaquín Dopazo^{4

5

6

7}, María Peña-Chilet^{8

9

10}

Affiliations

¹ Clinical Bioinformatics Area. Fundación Progreso y Salud (FPS). CDCA, Hospital Virgen del Rocio, 41013, Sevilla, Spain.
² Computational Systems Medicine, Institute of Biomedicine of Seville (IBIS), Hospital Virgen del Rocio, 41013, Sevilla, Spain.
³ Bioinformatics in Rare Diseases (BiER). Centro de Investigación Biomédica en Red de Enfermedades Raras (CIBERER), FPS, Hospital Virgen del Rocío, 41013, Sevilla, Spain.
⁴ Clinical Bioinformatics Area. Fundación Progreso y Salud (FPS). CDCA, Hospital Virgen del Rocio, 41013, Sevilla, Spain. joaquin.dopazo@juntadeandalucia.es.
⁵ Computational Systems Medicine, Institute of Biomedicine of Seville (IBIS), Hospital Virgen del Rocio, 41013, Sevilla, Spain. joaquin.dopazo@juntadeandalucia.es.
⁶ Bioinformatics in Rare Diseases (BiER). Centro de Investigación Biomédica en Red de Enfermedades Raras (CIBERER), FPS, Hospital Virgen del Rocío, 41013, Sevilla, Spain. joaquin.dopazo@juntadeandalucia.es.
⁷ FPS/ELIXIR-es, Hospital Virgen del Rocío, Sevilla, 42013, Spain. joaquin.dopazo@juntadeandalucia.es.
⁸ Clinical Bioinformatics Area. Fundación Progreso y Salud (FPS). CDCA, Hospital Virgen del Rocio, 41013, Sevilla, Spain. maria.pena.chilet.ext@juntadeandalucia.es.
⁹ Computational Systems Medicine, Institute of Biomedicine of Seville (IBIS), Hospital Virgen del Rocio, 41013, Sevilla, Spain. maria.pena.chilet.ext@juntadeandalucia.es.
¹⁰ Bioinformatics in Rare Diseases (BiER). Centro de Investigación Biomédica en Red de Enfermedades Raras (CIBERER), FPS, Hospital Virgen del Rocío, 41013, Sevilla, Spain. maria.pena.chilet.ext@juntadeandalucia.es.

No abstract available

Publication types

Letter
Research Support, Non-U.S. Gov't

MeSH terms

COVID-19 / pathology
COVID-19 / virology
COVID-19 Drug Treatment*
Computational Chemistry
Drug Repositioning*
Humans
Machine Learning
Molecular Docking Simulation
Molecular Targeted Therapy
Proteins / antagonists & inhibitors*
Proteins / chemistry
SARS-CoV-2 / drug effects*
SARS-CoV-2 / pathogenicity
Signal Transduction / drug effects

Substances

Proteins