About: In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19

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About: In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19 Goto Sponge NotDistinct Permalink

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

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type	Academic Article research paper schema:ScholarlyArticle
isDefinedBy	Covid-on-the-Web dataset
title	In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19
Creator	Davella, Rakesh Gurrapu, Swapna Mamidala, Estari Shivakrishna, Pujala
source	ArXiv
abstract	The COVID-19 pandemic triggered by SARS-CoV-2 is a worldwide health disaster. Main protease is an attractive drug target among coronaviruses, due to its vital role in processing the polyproteins that are translated from the viral RNA. There is presently no exact drug or treatment for this diseases caused by SARS-CoV-2. In the present study, we report the potential inhibitory activity of some FDA approved drugs against SARS-CoV-2 main protease by molecular docking study to investigate their binding affinity in protease active site. Docking studies revealed that drug Oseltamivir (anti-H1N1 drug), Rifampin (anti-TB drug), Maraviroc, Etravirine, Indinavir, Rilpivirine (anti-HIV drugs) and Atovaquone, Quinidine, Halofantrine, Amodiaquine, Tetracylcine, Azithromycin, hydroxycholoroquine (anti-malarial drugs) among others binds in the active site of the protease with similar or higher affinity. However, the in-silico abilities of the drug molecules tested in this study, further needs to be validated by carrying out in vitro and in vivo studies. Moreover, this study spreads the potential use of current drugs to be considered and used to comprise the fast expanding SARS-CoV-2 infection.
has issue date	2020-04-25(xsd:dateTime)
has license	arxiv
sha1sum (hex)	62cce6483896bf25635e951520ff3637a66c8c23
resource representing a document's title	In silico identification of clinically approved medicines against the main protease of SARS-CoV-2, causative agent of covid-19
resource representing a document's body	covid:62cce6483896bf25635e951520ff3637a66c8c23#body_text
is schema:about of	named entity 'binds' named entity 'coronaviruses' named entity 'Atovaquone' named entity 'infection' named entity 'study' »more»

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