ujloheyi

Property	Value
?:abstract	The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health problems and economical challenges for mankind. To date, no effective drug is available to directly treat the disease and prevent virus spreading. In a search for a drug against COVID-19, we have performed a massive X-ray crystallographic screen of two repurposing drug libraries against the SARS-CoV-2 main protease (Mpro), which is essential for the virus replication and, thus, a potent drug target. In contrast to commonly applied X-ray fragment screening experiments with molecules of low complexity, our screen tested already approved drugs and drugs in clinical trials. From the three-dimensional protein structures, we identified 37 compounds binding to Mpro. In subsequent cell-based viral reduction assays, one peptidomimetic and five non-peptidic compounds showed antiviral activity at non-toxic concentrations. We identified two allosteric binding sites representing attractive targets for drug development against SARS-CoV-2.
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?:doi	<https://research.tib.eu/covid-19/entity/10.1101/2020.11.12.378422>
?:doi	10.1101/2020.11.12.378422
?:externalLink	<https://doi.org/10.1101/2020.11.12.378422>
?:journal	bioRxiv
?:license	biorxiv
?:pdf_json_files	document_parses/pdf_json/431d953b2ce4a4244e73231dcd648e5e367039e0.json
?:publication_isRelatedTo_Disease	<https://research.tib.eu/covid-19/entity/COVID-19>
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?:sha_id	<https://research.tib.eu/covid-19/entity/431d953b2ce4a4244e73231dcd648e5e367039e0>
?:source	BioRxiv; WHO
?:title	Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
?:type	<https://research.tib.eu/covid-19/vocab/Publication>
?:year	2020-11-23

Property

Value

?:abstract

The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health problems and economical challenges for mankind. To date, no effective drug is available to directly treat the disease and prevent virus spreading. In a search for a drug against COVID-19, we have performed a massive X-ray crystallographic screen of two repurposing drug libraries against the SARS-CoV-2 main protease (Mpro), which is essential for the virus replication and, thus, a potent drug target. In contrast to commonly applied X-ray fragment screening experiments with molecules of low complexity, our screen tested already approved drugs and drugs in clinical trials. From the three-dimensional protein structures, we identified 37 compounds binding to Mpro. In subsequent cell-based viral reduction assays, one peptidomimetic and five non-peptidic compounds showed antiviral activity at non-toxic concentrations. We identified two allosteric binding sites representing attractive targets for drug development against SARS-CoV-2.

is ?:annotates of