In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage

The COVID-19 pandemic began in 2019, but it is still active. The development of an effective vaccine reduced the number of deaths; however, a treatment is still needed. Here, we aimed to inhibit viral entry to the host cell by inhibiting spike (S) protein cleavage by several proteases. We developed...

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Autores principales: Ozdemir, E. Sila, Le, Hillary H., Yildirim, Adem, Ranganathan, Srivathsan V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9231362/
https://www.ncbi.nlm.nih.gov/pubmed/35746605
http://dx.doi.org/10.3390/v14061129
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author Ozdemir, E. Sila
Le, Hillary H.
Yildirim, Adem
Ranganathan, Srivathsan V.
author_facet Ozdemir, E. Sila
Le, Hillary H.
Yildirim, Adem
Ranganathan, Srivathsan V.
author_sort Ozdemir, E. Sila
collection PubMed
description The COVID-19 pandemic began in 2019, but it is still active. The development of an effective vaccine reduced the number of deaths; however, a treatment is still needed. Here, we aimed to inhibit viral entry to the host cell by inhibiting spike (S) protein cleavage by several proteases. We developed a computational pipeline to repurpose FDA-approved drugs to inhibit protease activity and thus prevent S protein cleavage. We tested some of our drug candidates and demonstrated a decrease in protease activity. We believe our pipeline will be beneficial in identifying a drug regimen for COVID-19 patients.
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spelling pubmed-92313622022-06-25 In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage Ozdemir, E. Sila Le, Hillary H. Yildirim, Adem Ranganathan, Srivathsan V. Viruses Article The COVID-19 pandemic began in 2019, but it is still active. The development of an effective vaccine reduced the number of deaths; however, a treatment is still needed. Here, we aimed to inhibit viral entry to the host cell by inhibiting spike (S) protein cleavage by several proteases. We developed a computational pipeline to repurpose FDA-approved drugs to inhibit protease activity and thus prevent S protein cleavage. We tested some of our drug candidates and demonstrated a decrease in protease activity. We believe our pipeline will be beneficial in identifying a drug regimen for COVID-19 patients. MDPI 2022-05-24 /pmc/articles/PMC9231362/ /pubmed/35746605 http://dx.doi.org/10.3390/v14061129 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Ozdemir, E. Sila
Le, Hillary H.
Yildirim, Adem
Ranganathan, Srivathsan V.
In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title_full In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title_fullStr In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title_full_unstemmed In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title_short In Silico Screening and Testing of FDA-Approved Small Molecules to Block SARS-CoV-2 Entry to the Host Cell by Inhibiting Spike Protein Cleavage
title_sort in silico screening and testing of fda-approved small molecules to block sars-cov-2 entry to the host cell by inhibiting spike protein cleavage
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9231362/
https://www.ncbi.nlm.nih.gov/pubmed/35746605
http://dx.doi.org/10.3390/v14061129
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