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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Bibliografische Detailangaben

Hauptverfasser:	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:	Artigo
Sprache:	Inglês
Veröffentlicht:	Public Library of Science (PLoS) 2022-07-01
Schriftenreihe:	PLoS Computational Biology
Online-Zugang:	https://doi.org/10.1371/journal.pcbi.1010330
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