About: Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening
Creator	Klumpp-Thomas, Carleen Hu, Xin Zheng, Wei Zhu, Wei Guo, Hui Shinn, Paul Xu, Miao Chen, Catherine Shen, Min Michael, Samuel
source	BioRxiv; Medline; PMC
abstract	The outbreak of coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has emphasized the urgency to develop effective therapeutics. Drug repurposing screening is regarded as one of the most practical and rapid approaches for the discovery of such therapeutics. The 3C like protease (3CL(pro)), or main protease (M(pro)) of SARS-CoV-2 is a valid drug target as it is a specific viral enzyme and plays an essential role in viral replication. We performed a quantitative high throughput screening (qHTS) of 10,755 compounds consisting of approved and investigational drugs, and bioactive compounds using a SARS-CoV-2 3CL(pro) assay. Twenty-three small molecule inhibitors of SARS-CoV-2 3CL(pro) have been identified with IC(50)s ranging from 0.26 to 28.85 μM. Walrycin B (IC(50) = 0.26 μM), Hydroxocobalamin (IC(50) = 3.29 μM), Suramin sodium (IC(50) = 6.5 μM), Z-DEVD-FMK (IC(50) = 6.81 μM), LLL-12 (IC(50) = 9.84 μM), and Z-FA-FMK (IC(50) = 11.39 μM) are the most potent 3CL(pro) inhibitors. The activities of anti-SARS-CoV-2 viral infection was confirmed in 7 of 23 compounds using a SARS-CoV-2 cytopathic effect assay. The results demonstrated a set of SARS-CoV-2 3CL(pro) inhibitors that may have potential for further clinical evaluation as part of drug combination therapies to treating COVID-19 patients, and as starting points for chemistry optimization for new drug development.
has issue date	2020-08-11(xsd:dateTime)
bibo:doi	10.1101/2020.07.17.207019
bibo:pmid	32803196
has license	cc-by-nc-nd
sha1sum (hex)	a0f29aaebf701ab133a66886ccb35bffe6033662
schema:url	https://doi.org/10.1101/2020.07.17.207019
resource representing a document's title	Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-throughput Screening
has PubMed Central identifier	PMC7427131
has PubMed identifier	32803196
schema:publication	bioRxiv
resource representing a document's body	covid:a0f29aaebf701ab133a66886ccb35bffe6033662#body_text
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