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Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis

COVID-19 is a global pandemic first identified in China, causing severe acute respiratory syndrome. One of the therapeutic strategies for combating viral infections is the search for viral spike proteins as attachment inhibitors among natural compounds using molecular docking. This review aims at sh...

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Autores principales: Abdelmohsen, Usama Ramadan, Albohy, Amgad, Abdulrazik, Basma S., Bayoumi, Soad A. L., Malak, Lourin G., Khallaf, Iman S. A., Bringmann, Gerhard, Farag, Salwa F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032274/
https://www.ncbi.nlm.nih.gov/pubmed/35479715
http://dx.doi.org/10.1039/d1ra01989a
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author Abdelmohsen, Usama Ramadan
Albohy, Amgad
Abdulrazik, Basma S.
Bayoumi, Soad A. L.
Malak, Lourin G.
Khallaf, Iman S. A.
Bringmann, Gerhard
Farag, Salwa F.
author_facet Abdelmohsen, Usama Ramadan
Albohy, Amgad
Abdulrazik, Basma S.
Bayoumi, Soad A. L.
Malak, Lourin G.
Khallaf, Iman S. A.
Bringmann, Gerhard
Farag, Salwa F.
author_sort Abdelmohsen, Usama Ramadan
collection PubMed
description COVID-19 is a global pandemic first identified in China, causing severe acute respiratory syndrome. One of the therapeutic strategies for combating viral infections is the search for viral spike proteins as attachment inhibitors among natural compounds using molecular docking. This review aims at shedding light on the antiviral potential of natural products belonging to the natural-products class of coumarins up to 2020. Moreover, all these compounds were filtered based on ADME analysis to determine their physicochemical properties, and the best 74 compounds were selected. Using virtual-screening methods, the selected compounds were investigated for potential inhibition of viral main protease (Mpro), viral methyltransferase (nsp16/10 complex), viral recognition binding domain (RBD) of S-protein, and human angiotensin-converting enzyme 2 (ACE2), which is the human receptor for viral S-protein targets, using molecular-docking studies. Promising potential results against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and methyltransferase (nsp16) are presented.
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spelling pubmed-90322742022-04-26 Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis Abdelmohsen, Usama Ramadan Albohy, Amgad Abdulrazik, Basma S. Bayoumi, Soad A. L. Malak, Lourin G. Khallaf, Iman S. A. Bringmann, Gerhard Farag, Salwa F. RSC Adv Chemistry COVID-19 is a global pandemic first identified in China, causing severe acute respiratory syndrome. One of the therapeutic strategies for combating viral infections is the search for viral spike proteins as attachment inhibitors among natural compounds using molecular docking. This review aims at shedding light on the antiviral potential of natural products belonging to the natural-products class of coumarins up to 2020. Moreover, all these compounds were filtered based on ADME analysis to determine their physicochemical properties, and the best 74 compounds were selected. Using virtual-screening methods, the selected compounds were investigated for potential inhibition of viral main protease (Mpro), viral methyltransferase (nsp16/10 complex), viral recognition binding domain (RBD) of S-protein, and human angiotensin-converting enzyme 2 (ACE2), which is the human receptor for viral S-protein targets, using molecular-docking studies. Promising potential results against SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) and methyltransferase (nsp16) are presented. The Royal Society of Chemistry 2021-05-07 /pmc/articles/PMC9032274/ /pubmed/35479715 http://dx.doi.org/10.1039/d1ra01989a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Abdelmohsen, Usama Ramadan
Albohy, Amgad
Abdulrazik, Basma S.
Bayoumi, Soad A. L.
Malak, Lourin G.
Khallaf, Iman S. A.
Bringmann, Gerhard
Farag, Salwa F.
Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title_full Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title_fullStr Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title_full_unstemmed Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title_short Natural coumarins as potential anti-SARS-CoV-2 agents supported by docking analysis
title_sort natural coumarins as potential anti-sars-cov-2 agents supported by docking analysis
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032274/
https://www.ncbi.nlm.nih.gov/pubmed/35479715
http://dx.doi.org/10.1039/d1ra01989a
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