Allosteric inhibitors of the main protease of SARS-CoV-2.

ABSTRACT: SARS-CoV-2 has raised the alarm to search for effective therapy for this virus. To date several vaccines have been approved but few available drugs reported recently still need approval from FDA. Remdesivir was approved for emergency use only. In this report, the SARS-CoV-2 3CLpro was expressed and purified. By using a FRET-based enzymatic assay, we have screened a library consisting of more than 300 different niclosamide derivatives and identified three molecules JMX0286, JMX0301, and JMX0941 as potent allosteric inhibitors against SARS-CoV-2 3CLpro, with IC₅₀ values similar to that of known covalent inhibitor boceprevir. In a cell-based antiviral assay, these inhibitors can inhibit the virus growth with EC₅₀ in the range of 2-3 μM. The mechanism of action of JMX0286

SUBMITTER: Samrat SK 

PROVIDER: S-EPMC9272661 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature