Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19

The COVID-19 outbreak is a matter of concern worldwide due to unavailability of promising treatment comprising medication or vaccination till date. The discovery of antiviral drug is of immense importance in the existing spread of novel coronavirus. The goal of the present study was to evolve an opp...

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Autores principales:	Abdellatiif Magda H., Ali Amena, Ali Abuzer, Hussien Mostafa A.
Formato:	article
Lenguaje:	EN
Publicado:	De Gruyter 2021
Materias:	moe molecular docking covid-19 pyridones coumarin Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/6b2a4c7c5e3943838b978f6fccbc2b27
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spelling	oai:doaj.org-article:6b2a4c7c5e3943838b978f6fccbc2b272021-12-05T14:10:43ZComputational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-192391-542010.1515/chem-2021-0024https://doaj.org/article/6b2a4c7c5e3943838b978f6fccbc2b272021-03-01T00:00:00Zhttps://doi.org/10.1515/chem-2021-0024https://doaj.org/toc/2391-5420The COVID-19 outbreak is a matter of concern worldwide due to unavailability of promising treatment comprising medication or vaccination till date. The discovery of antiviral drug is of immense importance in the existing spread of novel coronavirus. The goal of the present study was to evolve an opposite antiviral drug against the novel COVID-19 virus. A directly succeeding perspective would be to use the prevailing influential drugs from several antimicrobial and chemotherapeutic agents. The encouraging approach is to identify promising drug molecules and compounds through virtual screening via molecular docking of FDA-approved drugs and some previously synthesized pyridone and coumarin derivatives for probable therapeutic outcome. In this conceptual milieu, an effort has been made to propose a computational in silico relationship among FDA-approved drugs and coronavirus-associated receptors and proteins. The study results were evaluated on the basis of a dock score by using molecular operating environment. Out of 15 compounds screened, the compounds with the best docking scores toward their targets was 3d. Therefore, compound 3d deserves further investigations and clinical trials as a possible therapeutic inhibitor of the COVID-19 caused by the novel SARS-CoV-2.Abdellatiif Magda H.Ali AmenaAli AbuzerHussien Mostafa A.De Gruyterarticlemoemolecular dockingcovid-19pyridonescoumarinChemistryQD1-999ENOpen Chemistry, Vol 19, Iss 1, Pp 245-264 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	moe molecular docking covid-19 pyridones coumarin Chemistry QD1-999
spellingShingle	moe molecular docking covid-19 pyridones coumarin Chemistry QD1-999 Abdellatiif Magda H. Ali Amena Ali Abuzer Hussien Mostafa A. Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
description	The COVID-19 outbreak is a matter of concern worldwide due to unavailability of promising treatment comprising medication or vaccination till date. The discovery of antiviral drug is of immense importance in the existing spread of novel coronavirus. The goal of the present study was to evolve an opposite antiviral drug against the novel COVID-19 virus. A directly succeeding perspective would be to use the prevailing influential drugs from several antimicrobial and chemotherapeutic agents. The encouraging approach is to identify promising drug molecules and compounds through virtual screening via molecular docking of FDA-approved drugs and some previously synthesized pyridone and coumarin derivatives for probable therapeutic outcome. In this conceptual milieu, an effort has been made to propose a computational in silico relationship among FDA-approved drugs and coronavirus-associated receptors and proteins. The study results were evaluated on the basis of a dock score by using molecular operating environment. Out of 15 compounds screened, the compounds with the best docking scores toward their targets was 3d. Therefore, compound 3d deserves further investigations and clinical trials as a possible therapeutic inhibitor of the COVID-19 caused by the novel SARS-CoV-2.
format	article
author	Abdellatiif Magda H. Ali Amena Ali Abuzer Hussien Mostafa A.
author_facet	Abdellatiif Magda H. Ali Amena Ali Abuzer Hussien Mostafa A.
author_sort	Abdellatiif Magda H.
title	Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
title_short	Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
title_full	Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
title_fullStr	Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
title_full_unstemmed	Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19
title_sort	computational studies by molecular docking of some antiviral drugs with covid-19 receptors are an approach to medication for covid-19
publisher	De Gruyter
publishDate	2021
url	https://doaj.org/article/6b2a4c7c5e3943838b978f6fccbc2b27
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Computational studies by molecular docking of some antiviral drugs with COVID-19 receptors are an approach to medication for COVID-19

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