Drug repurposing based on a quantum-inspired method versus classical fingerprinting uncovers potential antivirals against SARS-CoV-2.

Drug repurposing based on a quantum-inspired method versus classical fingerprinting uncovers potential antivirals against SARS-CoV-2.

The COVID-19 pandemic has accelerated the need to identify new antiviral therapeutics at pace, including through drug repurposing. We employed a Quadratic Unbounded Binary Optimization (QUBO) model, to search for compounds similar to Remdesivir, the first antiviral against SARS-CoV-2 approved for hu...

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Bibliographic Details
Main Authors: Jose M Jimenez-Guardeño, Ana Maria Ortega-Prieto, Borja Menendez Moreno, Thomas J A Maguire, Adam Richardson, Juan Ignacio Diaz-Hernandez, Javier Diez Perez, Mark Zuckerman, Albert Mercadal Playa, Carlos Cordero Deline, Michael H Malim, Rocio Teresa Martinez-Nunez
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2022-07-01
Series:PLoS Computational Biology
Online Access:https://doi.org/10.1371/journal.pcbi.1010330

Internet

https://doi.org/10.1371/journal.pcbi.1010330

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