Exploring epigenetic drugs as potential inhibitors of SARS-CoV-2 main protease: a docking and MD simulation study.
COVID-19
SARS-CoV-2
binding free energy
docking
drug repurposing
epigenetics
main protease
molecular dynamics
Journal
Journal of biomolecular structure & dynamics
ISSN: 1538-0254
Titre abrégé: J Biomol Struct Dyn
Pays: England
ID NLM: 8404176
Informations de publication
Date de publication:
17 Jul 2023
17 Jul 2023
Historique:
medline:
17
7
2023
pubmed:
17
7
2023
entrez:
17
7
2023
Statut:
aheadofprint
Résumé
The COVID-19 pandemic has caused havoc around the globe since 2019 and is considered the largest global epidemic of the twentieth century. Although the first antiviral drug, Remdesivir, was initially introduced against COVID‑19, virtually no tangible therapeutic drugs exist to treat SARS-CoV-2 infection. FDA-approved Paxlovid (Nirmatrelvir supplemented by Ritonavir) was recently announced as a promising drug against the SARS-CoV-2 major protease (M
Identifiants
pubmed: 37458994
doi: 10.1080/07391102.2023.2236714
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM