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A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm
Cytokine storm is a condition in which the immune system produces an excessive number of inflammatory signals, which can result in organ failure and death. It is also known as cytokine release syndrome, CRS, or simply cytokine storm, and it has received a lot of attention recently because of the COV...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9319373/ https://www.ncbi.nlm.nih.gov/pubmed/35889428 http://dx.doi.org/10.3390/molecules27144555 |
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author | Alzahrani, Abdulaziz |
author_facet | Alzahrani, Abdulaziz |
author_sort | Alzahrani, Abdulaziz |
collection | PubMed |
description | Cytokine storm is a condition in which the immune system produces an excessive number of inflammatory signals, which can result in organ failure and death. It is also known as cytokine release syndrome, CRS, or simply cytokine storm, and it has received a lot of attention recently because of the COVID-19 pandemic. It appears to be one of the reasons why some people experience life-threatening symptoms from COVID-19, a medical condition induced by SARS-CoV-2 infection. In situations where natural substances can be exploited as therapeutics to reduce cytokine storm, the drug development process has come to the rescue. In the present study, we tested the potentiality of Andrographolide, labdane diterpenoid targeting several key cytokines that are secreted as a result of cytokine storm. We used molecular docking analyses, molecular dynamics simulations, and pharmacokinetic properties to test the stability of the complexes. The compound’s binding energy with some cytokines was over −6.5 Kcal/mol. Furthermore, a post-molecular dynamics (MD) study revealed that Andrographolide was extremely stable with these cytokines. The compound’s pharmacokinetic measurements demonstrated excellent properties in terms of adsorption, distribution, metabolism, and excretion. Our research revealed that this compound may be effective in lowering cytokine storm and treating severe symptoms. |
format | Online Article Text |
id | pubmed-9319373 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-93193732022-07-27 A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm Alzahrani, Abdulaziz Molecules Article Cytokine storm is a condition in which the immune system produces an excessive number of inflammatory signals, which can result in organ failure and death. It is also known as cytokine release syndrome, CRS, or simply cytokine storm, and it has received a lot of attention recently because of the COVID-19 pandemic. It appears to be one of the reasons why some people experience life-threatening symptoms from COVID-19, a medical condition induced by SARS-CoV-2 infection. In situations where natural substances can be exploited as therapeutics to reduce cytokine storm, the drug development process has come to the rescue. In the present study, we tested the potentiality of Andrographolide, labdane diterpenoid targeting several key cytokines that are secreted as a result of cytokine storm. We used molecular docking analyses, molecular dynamics simulations, and pharmacokinetic properties to test the stability of the complexes. The compound’s binding energy with some cytokines was over −6.5 Kcal/mol. Furthermore, a post-molecular dynamics (MD) study revealed that Andrographolide was extremely stable with these cytokines. The compound’s pharmacokinetic measurements demonstrated excellent properties in terms of adsorption, distribution, metabolism, and excretion. Our research revealed that this compound may be effective in lowering cytokine storm and treating severe symptoms. MDPI 2022-07-17 /pmc/articles/PMC9319373/ /pubmed/35889428 http://dx.doi.org/10.3390/molecules27144555 Text en © 2022 by the author. 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 Alzahrani, Abdulaziz A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title | A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title_full | A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title_fullStr | A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title_full_unstemmed | A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title_short | A New Investigation into the Molecular Mechanism of Andrographolide towards Reducing Cytokine Storm |
title_sort | new investigation into the molecular mechanism of andrographolide towards reducing cytokine storm |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9319373/ https://www.ncbi.nlm.nih.gov/pubmed/35889428 http://dx.doi.org/10.3390/molecules27144555 |
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