Discovery of highly potent SARS-CoV-2 Mpro inhibitors based on benzoisothiazolone scaffold.
Bioorg Med Chem Lett
; 58: 128526, 2022 02 15.
Article
in English
| MEDLINE | ID: covidwho-1814173
ABSTRACT
The COVID-19 pandemic has drastically impacted global economies and public health. Although vaccine development has been successful, it was not sufficient against more infectious mutant strains including the Delta variant indicating a need for alternative treatment strategies such as small molecular compound development. In this work, a series of SARS-CoV-2 main protease (Mpro) inhibitors were designed and tested based on the active compound from high-throughput diverse compound library screens. The most efficacious compound (16b-3) displayed potent SARS-CoV-2 Mpro inhibition with an IC50 value of 116 nM and selectivity against SARS-CoV-2 Mpro when compared to PLpro and RdRp. This new class of compounds could be used as potential leads for further optimization in anti COVID-19 drug discovery.
Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Antiviral Agents
/
Protease Inhibitors
/
Thiazoles
/
Drug Discovery
/
Coronavirus 3C Proteases
/
SARS-CoV-2
Topics:
Vaccines
/
Variants
Limits:
Humans
Language:
English
Journal:
Bioorg Med Chem Lett
Journal subject:
Biochemistry
/
Chemistry
Year:
2022
Document Type:
Article
Affiliation country:
J.bmcl.2022.128526
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