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Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2
The new coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) has been reported and spread globally. There is an urgent need to take urgent measures to treat and prevent further infection of this virus. Here, we use virtual drug screening to est...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9221610/ https://www.ncbi.nlm.nih.gov/pubmed/35741053 http://dx.doi.org/10.3390/cells11121924 |
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author | Chen, Chih-Chieh Zhuang, Zhi-Jie Wu, Chia-Wei Tan, Yi-Ling Huang, Chen-Hsiu Hsu, Chia-Yi Tsai, Eing-Mei Hsieh, Tsung-Hua |
author_facet | Chen, Chih-Chieh Zhuang, Zhi-Jie Wu, Chia-Wei Tan, Yi-Ling Huang, Chen-Hsiu Hsu, Chia-Yi Tsai, Eing-Mei Hsieh, Tsung-Hua |
author_sort | Chen, Chih-Chieh |
collection | PubMed |
description | The new coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) has been reported and spread globally. There is an urgent need to take urgent measures to treat and prevent further infection of this virus. Here, we use virtual drug screening to establish pharmacophore groups and analyze the ACE2 binding site of the spike protein with the ZINC drug database and DrugBank database by molecular docking and molecular dynamics simulations. Screening results showed that Venetoclax, a treatment drug for chronic lymphocytic leukemia, has a potential ability to bind to the spike protein of SARS-CoV-2. In addition, our in vitro study found that Venetoclax degraded the expression of the spike protein of SARS-CoV-2 through amino acids Q493 and S494 and blocked the interaction with the ACE2 receptor. Our results suggest that Venetoclax is a candidate for clinical prevention and treatment and deserves further research. |
format | Online Article Text |
id | pubmed-9221610 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-92216102022-06-24 Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 Chen, Chih-Chieh Zhuang, Zhi-Jie Wu, Chia-Wei Tan, Yi-Ling Huang, Chen-Hsiu Hsu, Chia-Yi Tsai, Eing-Mei Hsieh, Tsung-Hua Cells Article The new coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) has been reported and spread globally. There is an urgent need to take urgent measures to treat and prevent further infection of this virus. Here, we use virtual drug screening to establish pharmacophore groups and analyze the ACE2 binding site of the spike protein with the ZINC drug database and DrugBank database by molecular docking and molecular dynamics simulations. Screening results showed that Venetoclax, a treatment drug for chronic lymphocytic leukemia, has a potential ability to bind to the spike protein of SARS-CoV-2. In addition, our in vitro study found that Venetoclax degraded the expression of the spike protein of SARS-CoV-2 through amino acids Q493 and S494 and blocked the interaction with the ACE2 receptor. Our results suggest that Venetoclax is a candidate for clinical prevention and treatment and deserves further research. MDPI 2022-06-14 /pmc/articles/PMC9221610/ /pubmed/35741053 http://dx.doi.org/10.3390/cells11121924 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 Chen, Chih-Chieh Zhuang, Zhi-Jie Wu, Chia-Wei Tan, Yi-Ling Huang, Chen-Hsiu Hsu, Chia-Yi Tsai, Eing-Mei Hsieh, Tsung-Hua Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title | Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title_full | Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title_fullStr | Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title_full_unstemmed | Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title_short | Venetoclax Decreases the Expression of the Spike Protein through Amino Acids Q493 and S494 in SARS-CoV-2 |
title_sort | venetoclax decreases the expression of the spike protein through amino acids q493 and s494 in sars-cov-2 |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9221610/ https://www.ncbi.nlm.nih.gov/pubmed/35741053 http://dx.doi.org/10.3390/cells11121924 |
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