A potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic

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TitreA potential solution to avoid overdose of mixed drugs in the event of Covid-19: Nanomedicine at the heart of the Covid-19 pandemic
Type de publicationJournal Article
Year of Publication2021
AuteursDuverger E, Herlem G, Picaud F
JournalJOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume104
Pagination107834
Date PublishedMAY
Type of ArticleArticle
ISSN1093-3263
Mots-clésDensity functional theory calculations, Molecular dynamics simulations, nanovectorization
Résumé

Since 2020, the world is facing the first global pandemic of 21st century. Among all the solutions pro-posed to treat this new strain of coronavirus, named SARS-CoV-2, the vaccine seems a promising way but the delays are too long to be implemented quickly. In the emergency, a dual therapy has shown its effectiveness but has also provoked a set of debates around the dangerousness of a particular molecule, hydroxychloroquine. In particular, the doses to be delivered, according to the studies, were well beyond the acceptable doses to support the treatment without side effects. We propose here to use all the ad-vantages of nanovectorization to address this question of concentration. Using quantum and classical simulations we will show in particular that drug transport on boron nitrogen oxide nanosheets increases the effectiveness of the action of these drugs. This will definitely allow to decrease the drug quantity needing to face the disease. (c) 2021 Elsevier Inc. All rights reserved.

DOI10.1016/j.jmgm.2021.107834