In Silico Binding of 2-Aminocyclobutanones to SARS-CoV-2 Nsp13 Helicase and Demonstration of Antiviral Activity.
HTS
SAR
antiviral
carbonyl hydrate
computer-aided drug design
coronavirus variants
cyclobutanone
enzyme inhibitor
high-throughput in silico screen
nonstructural protein 13, Nsp13 helicase
peptidomimetics
transition state mimetic
Journal
International journal of molecular sciences
ISSN: 1422-0067
Titre abrégé: Int J Mol Sci
Pays: Switzerland
ID NLM: 101092791
Informations de publication
Date de publication:
07 Mar 2023
07 Mar 2023
Historique:
received:
23
01
2023
revised:
22
02
2023
accepted:
02
03
2023
medline:
30
3
2023
entrez:
29
3
2023
pubmed:
30
3
2023
Statut:
epublish
Résumé
The landscape of viral strains and lineages of SARS-CoV-2 keeps changing and is currently dominated by Delta and Omicron variants. Members of the latest Omicron variants, including BA.1, are showing a high level of immune evasion, and Omicron has become a prominent variant circulating globally. In our search for versatile medicinal chemistry scaffolds, we prepared a library of substituted ɑ-aminocyclobutanones from an ɑ-aminocyclobutanone synthon (
Identifiants
pubmed: 36982188
pii: ijms24065120
doi: 10.3390/ijms24065120
pmc: PMC10049026
pii:
doi:
Substances chimiques
Antiviral Agents
0
RNA Helicases
EC 3.6.4.13
Viral Nonstructural Proteins
0
DNA Helicases
EC 3.6.4.-
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Loyola University Chicago
ID : IPRS #1083
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