About: Eltrombopag is a potential target for drug intervention in SARS-CoV-2 spike protein

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About: Eltrombopag is a potential target for drug intervention in SARS-CoV-2 spike protein 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	Eltrombopag is a potential target for drug intervention in SARS-CoV-2 spike protein
Creator	Wang, Hui Zhao, Yong Wang, Yifei Zhang, Shuyang Xiao, Ying Zhang, Zhiyu Feng, Siqin Liu, Meixi Luan, Xiaodong Tian, Zhuang Wang, Yiyang Zhou, Ruilin
Source	Elsevier; Medline; PMC
abstract	The COVID-19 pandemic, caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), is a current global threat for which there is an urgent need to search for an effective therapy. The transmembrane spike (S) glycoprotein of SARS-CoV-2 directly binds to the host angiotensin-converting enzyme 2 (ACE2) and mediates viral entrance, which is therefore considered as a promising drug target. Considering that new drug development is a time-consuming process, drug repositioning may facilitate rapid drug discovery dealing with sudden infectious diseases. Here, we compared the differences between the virtual structural proteins of SARS-CoV-2 and SARS-CoV, and selected a pocket mainly localizing in the fusion cores of S2 domain for drug screening. A virtual drug design algorithm screened the Food and Drug Administration-approved drug library of 1234 compounds, and 13 top scored compounds were obtained through manual screening. Through in vitro molecular interaction experiments, eltrombopag was further verified to possess a high binding affinity to S protein plus human ACE2 and could potentially affect the stability of the ACE2-S protein complex. Hence, it is worth further exploring eltrombopag as a potential drug for the treatment of SARS-CoV-2 infection.
has issue date	2020-06-12(xsd:dateTime)
bibo:doi	10.1016/j.meegid.2020.104419
bibo:pmid	32540428
has license	no-cc
sha1sum (hex)	f1e1d584359b8896d2b82a9d7aabb1e2703c2be2
schema:url	https://doi.org/10.1016/j.meegid.2020.104419
resource representing a document's title	Eltrombopag is a potential target for drug intervention in SARS-CoV-2 spike protein
has PubMed Central identifier	PMC7290210
has PubMed identifier	32540428
schema:publication	Infect Genet Evol
resource representing a document's body	covid:f1e1d584359b8896d2b82a9d7aabb1e2703c2be2#body_text
is schema:about of	named entity 'resonance' named entity 'nucleocapsid' named entity 'assay' named entity 'spike' named entity 'kon' named entity 'Journal' named entity 'surface plasmon' named entity 'ACE2' named entity 'angiotensin-converting enzyme 2' named entity 'spike protein' named entity 'spike protein' named entity 'SARS' named entity 'membrane protein' named entity 'N-terminal' named entity 'homology modeling' named entity 'tumors' named entity 'S protein' named entity 'eltrombopag' named entity 'FDA' named entity 'binding sites' named entity 'SARS-CoV' named entity 'eltrombopag' named entity 'SARS-CoV' named entity 'ACE2' named entity 'SARS-CoV-2' named entity 'SARS-CoV-2' named entity 'ion' named entity 'SPR' named entity 'approved drugs' named entity 'Glycyrrhizic acid' named entity 'mechanisms of action' named entity 'HR1' named entity 'SARS-CoV-2' named entity 'eltrombopag' named entity 'SARS-CoV2' named entity 'sequence analysis' named entity 'hydrolyzed' named entity 'approved drugs' named entity 'homology modeling' named entity 'virtual screening' named entity 'eltrombopag' named entity 'SPR' named entity 'high throughput screening' named entity 'ACE2' named entity 'protein' named entity 'SARS-CoV-2' named entity 'eltrombopag' named entity 'structural proteins' named entity 'membrane fusion' named entity 'protein' named entity 'virtual screening' named entity 'SPR' named entity 'protein' named entity 'protein tertiary structure' named entity 'protein' named entity 'diabetes' named entity 'SPR' named entity 'surface plasmon resonance' named entity 'SARS-CoV-2' named entity 'risk factor' named entity 'eltrombopag' named entity 'SARS-CoV-2' named entity 'protein' named entity 'protein' named entity 'adverse event' named entity 'SARS-CoV-2' named entity 'Eltrombopag' named entity 'pathogenesis' named entity 'PCR' named entity 'SARS-CoV-2'

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