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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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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. |
format | Online Article Text |
id | pubmed-9032274 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
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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