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Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study

As the beginning of the COVID-19 pandemic, numerous attempts have been made to identify specific antiviral mouth rinses which may help reduce the salivary viral load of severe acute respiratory syndrome coronavirus 2 (SARS-CoV2). Although the results from in vivo well-controlled clinical studies are...

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Autores principales: Grover, Vishakha, Kumar, Varinder, Puri, Veena, Jain, Ashish
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Wolters Kluwer - Medknow 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9626784/
https://www.ncbi.nlm.nih.gov/pubmed/36339382
http://dx.doi.org/10.4103/jisp.jisp_39_22
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author Grover, Vishakha
Kumar, Varinder
Puri, Veena
Jain, Ashish
author_facet Grover, Vishakha
Kumar, Varinder
Puri, Veena
Jain, Ashish
author_sort Grover, Vishakha
collection PubMed
description As the beginning of the COVID-19 pandemic, numerous attempts have been made to identify specific antiviral mouth rinses which may help reduce the salivary viral load of severe acute respiratory syndrome coronavirus 2 (SARS-CoV2). Although the results from in vivo well-controlled clinical studies are yet pending, many contemporary antimicrobial mouth rinses have been explored for potential antiviral properties with respect to SARS-CoV-2. The most widely used compounds such as povidone-iodine, chlorhexidine, hydrogen peroxide, and essential oils have been known to have antiviral activity by targeting the outer lipid membrane or by denaturing the capsid proteins of enveloped virus SARS-CoV. Until now, there has been scanty scientific evidence on the molecular basis of interaction of the gold standard antimicrobial mouth rinse as an underlying mechanism of its anti-SARS-CoV-2 effect. The current communication reports the findings of our in silico docking study pertaining to understand the interactions of chlorhexidine with the most well-studied target of the SARS-CoV main protease.
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spelling pubmed-96267842022-11-03 Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study Grover, Vishakha Kumar, Varinder Puri, Veena Jain, Ashish J Indian Soc Periodontol Short Communication As the beginning of the COVID-19 pandemic, numerous attempts have been made to identify specific antiviral mouth rinses which may help reduce the salivary viral load of severe acute respiratory syndrome coronavirus 2 (SARS-CoV2). Although the results from in vivo well-controlled clinical studies are yet pending, many contemporary antimicrobial mouth rinses have been explored for potential antiviral properties with respect to SARS-CoV-2. The most widely used compounds such as povidone-iodine, chlorhexidine, hydrogen peroxide, and essential oils have been known to have antiviral activity by targeting the outer lipid membrane or by denaturing the capsid proteins of enveloped virus SARS-CoV. Until now, there has been scanty scientific evidence on the molecular basis of interaction of the gold standard antimicrobial mouth rinse as an underlying mechanism of its anti-SARS-CoV-2 effect. The current communication reports the findings of our in silico docking study pertaining to understand the interactions of chlorhexidine with the most well-studied target of the SARS-CoV main protease. Wolters Kluwer - Medknow 2022 2022-09-01 /pmc/articles/PMC9626784/ /pubmed/36339382 http://dx.doi.org/10.4103/jisp.jisp_39_22 Text en Copyright: © 2022 Indian Society of Periodontology https://creativecommons.org/licenses/by-nc-sa/4.0/This is an open access journal, and articles are distributed under the terms of the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 License, which allows others to remix, tweak, and build upon the work non-commercially, as long as appropriate credit is given and the new creations are licensed under the identical terms.
spellingShingle Short Communication
Grover, Vishakha
Kumar, Varinder
Puri, Veena
Jain, Ashish
Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title_full Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title_fullStr Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title_full_unstemmed Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title_short Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
title_sort chlorhexidine and sars-cov-2 main protease: molecular docking study
topic Short Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9626784/
https://www.ncbi.nlm.nih.gov/pubmed/36339382
http://dx.doi.org/10.4103/jisp.jisp_39_22
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