Pan-3C Protease Inhibitor Rupintrivir Binds SARS-CoV-2 Main Protease in a Unique Binding Mode.
Antiviral Agents
/ chemistry
Catalytic Domain
Coronavirus 3C Proteases
/ antagonists & inhibitors
Crystallography, X-Ray
Cysteine Proteinase Inhibitors
/ chemistry
Enterovirus D, Human
/ enzymology
Hydrogen Bonding
Isoxazoles
/ chemistry
Phenylalanine
/ analogs & derivatives
Protein Binding
Pyrrolidinones
/ chemistry
SARS-CoV-2
/ enzymology
Static Electricity
Valine
/ analogs & derivatives
Journal
Biochemistry
ISSN: 1520-4995
Titre abrégé: Biochemistry
Pays: United States
ID NLM: 0370623
Informations de publication
Date de publication:
05 10 2021
05 10 2021
Historique:
pubmed:
11
9
2021
medline:
13
10
2021
entrez:
10
9
2021
Statut:
ppublish
Résumé
Rupintrivir targets the 3C cysteine proteases of the picornaviridae family, which includes rhinoviruses and enteroviruses that cause a range of human diseases. Despite being a pan-3C protease inhibitor, rupintrivir activity is extremely weak against the homologous 3C-like protease of SARS-CoV-2. In this study, the crystal structures of rupintrivir were determined bound to enterovirus 68 (EV68) 3C protease and the 3C-like main protease (M
Identifiants
pubmed: 34506130
doi: 10.1021/acs.biochem.1c00414
doi:
Substances chimiques
Antiviral Agents
0
Cysteine Proteinase Inhibitors
0
Isoxazoles
0
Pyrrolidinones
0
Phenylalanine
47E5O17Y3R
3C-like proteinase, SARS-CoV-2
EC 3.4.22.-
Coronavirus 3C Proteases
EC 3.4.22.28
Valine
HG18B9YRS7
rupintrivir
RGE5K1Q5QW
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.
Langues
eng
Sous-ensembles de citation
IM
Pagination
2925-2931Subventions
Organisme : NIGMS NIH HHS
ID : P30 GM133893
Pays : United States
Organisme : NIGMS NIH HHS
ID : R01 GM135919
Pays : United States
Organisme : NIAID NIH HHS
ID : R21 AI149716
Pays : United States
Organisme : NIGMS NIH HHS
ID : R35 GM118112
Pays : United States