About: Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus

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About: Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus Goto Sponge NotDistinct Permalink

An Entity of Type : schema:ScholarlyArticle, within Data Space : covidontheweb.inria.fr associated with source document(s)

Attributes	Values
type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
has title	Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus
Creator	Wang, Zhiying Liu, Sen Zheng, Qiang
Source	Medline; PMC
abstract	MOTIVATION: Since December 2019, the newly identified coronavirus SARS-CoV-2 has caused a massive health crisis worldwide and resulted in over 70,000 COVID-19 infections so far. Clinical drugs targeting SARS-CoV-2 are urgently needed to decrease the high fatality rate of confirmed COVID-19 patients. Traditional de novo drug discovery needs more than 10 years, so drug repurposing seems the best option currently to find potential drugs for treating COVID-19. RESULTS: Compared with traditional non-covalent drugs, covalent drugs have attracted escalating attention recent years due to their advantages in potential specificity upon careful design, efficiency, and patient burden. We recently developed a computational protocol named as SCAR for discovering covalent drugs. In this work, we used the SCAR protocol to identify possible covalent drugs (approved or clinically tested) targeting the main protease (3CLpro) of SARS-CoV-2. We identified 11 potential hits, among which at least 6 hits were exclusively enriched by the SCAR protocol. Since the preclinical or clinical information of these identified drugs is already available, they might be ready for being clinically tested in the treatment of COVID-19.
has issue date	2020-04-01(xsd:dateTime)
bibo:doi	10.1093/bioinformatics/btaa224
bibo:pmid	32239142
has license	no-cc
sha1sum (hex)	bc9f1832749dffe4d9f28ad4d077414c5af3cbf0
schema:url	https://doi.org/10.1093/bioinformatics/btaa224
resource representing a document's title	Potential covalent drugs targeting the main protease of the SARS-CoV-2 coronavirus
has PubMed Central identifier	PMC7184403
has PubMed identifier	32239142
schema:publication	Bioinformatics
resource representing a document's body	covid:bc9f1832749dffe4d9f28ad4d077414c5af3cbf0#body_text
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