Molecular docking analysis of quercetin with known CoVid-19 targets

Combat and care during CoVid-19 was non-trivial. Therefore, it is of interest to use the pharmacologically active plant component quercetin for the treatment of CoVid-19. Quercetin exhibits favourable ADMET values and abides by Lipinski's rule of five. When quercetin and remdesivir were positio...

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Autores principales: Chandran, Sridevi Chandra Subash, Christopher, Ireen, Sounderraajan, Aishwariya, Murugesan, Viji, Sabapathy, Indu, Periyasamy, Vijayalakshmi, Manikkam, Rajalakshmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10692980/
https://www.ncbi.nlm.nih.gov/pubmed/38046509
http://dx.doi.org/10.6026/973206300191081
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author Chandran, Sridevi Chandra Subash
Christopher, Ireen
Sounderraajan, Aishwariya
Murugesan, Viji
Sabapathy, Indu
Periyasamy, Vijayalakshmi
Manikkam, Rajalakshmi
author_facet Chandran, Sridevi Chandra Subash
Christopher, Ireen
Sounderraajan, Aishwariya
Murugesan, Viji
Sabapathy, Indu
Periyasamy, Vijayalakshmi
Manikkam, Rajalakshmi
author_sort Chandran, Sridevi Chandra Subash
collection PubMed
description Combat and care during CoVid-19 was non-trivial. Therefore, it is of interest to use the pharmacologically active plant component quercetin for the treatment of CoVid-19. Quercetin exhibits favourable ADMET values and abides by Lipinski's rule of five. When quercetin and remdesivir were positioned in relation to the CoVid-19 targets, quercetin exhibited a greater propensity for binding and H-bond interaction in their molecular interactions. Thus, the quercetin molecule can be used to manage CoVid-19.
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spelling pubmed-106929802023-12-03 Molecular docking analysis of quercetin with known CoVid-19 targets Chandran, Sridevi Chandra Subash Christopher, Ireen Sounderraajan, Aishwariya Murugesan, Viji Sabapathy, Indu Periyasamy, Vijayalakshmi Manikkam, Rajalakshmi Bioinformation Research Article Combat and care during CoVid-19 was non-trivial. Therefore, it is of interest to use the pharmacologically active plant component quercetin for the treatment of CoVid-19. Quercetin exhibits favourable ADMET values and abides by Lipinski's rule of five. When quercetin and remdesivir were positioned in relation to the CoVid-19 targets, quercetin exhibited a greater propensity for binding and H-bond interaction in their molecular interactions. Thus, the quercetin molecule can be used to manage CoVid-19. Biomedical Informatics 2023-11-30 /pmc/articles/PMC10692980/ /pubmed/38046509 http://dx.doi.org/10.6026/973206300191081 Text en © 2023 Biomedical Informatics https://creativecommons.org/licenses/by/3.0/This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.
spellingShingle Research Article
Chandran, Sridevi Chandra Subash
Christopher, Ireen
Sounderraajan, Aishwariya
Murugesan, Viji
Sabapathy, Indu
Periyasamy, Vijayalakshmi
Manikkam, Rajalakshmi
Molecular docking analysis of quercetin with known CoVid-19 targets
title Molecular docking analysis of quercetin with known CoVid-19 targets
title_full Molecular docking analysis of quercetin with known CoVid-19 targets
title_fullStr Molecular docking analysis of quercetin with known CoVid-19 targets
title_full_unstemmed Molecular docking analysis of quercetin with known CoVid-19 targets
title_short Molecular docking analysis of quercetin with known CoVid-19 targets
title_sort molecular docking analysis of quercetin with known covid-19 targets
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10692980/
https://www.ncbi.nlm.nih.gov/pubmed/38046509
http://dx.doi.org/10.6026/973206300191081
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