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Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model
The COVID-19 pandemic has been a global health crisis for over three years now, with the virus causing widespread illness and death. The urgent need for safe and effective therapeutic drugs has prompted the exploration of alternative medicine systems such as Ayurveda and Siddha. This study focuses o...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier B.V.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10289265/ https://www.ncbi.nlm.nih.gov/pubmed/37356683 http://dx.doi.org/10.1016/j.ijbiomac.2023.125553 |
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author | Sai Ramesh, A. Adarshan, S. Lohedan, Hamad Naveen Kumar, T. Thasleema Nasrin, M.R. Aarthi Shree, G. Dinakarkumar, Yuvaraj Rajabathar, Jothi Ramalingam Karnan, Muthusamy |
author_facet | Sai Ramesh, A. Adarshan, S. Lohedan, Hamad Naveen Kumar, T. Thasleema Nasrin, M.R. Aarthi Shree, G. Dinakarkumar, Yuvaraj Rajabathar, Jothi Ramalingam Karnan, Muthusamy |
author_sort | Sai Ramesh, A. |
collection | PubMed |
description | The COVID-19 pandemic has been a global health crisis for over three years now, with the virus causing widespread illness and death. The urgent need for safe and effective therapeutic drugs has prompted the exploration of alternative medicine systems such as Ayurveda and Siddha. This study focuses on the potential therapeutic properties of the Ayurvedic plant, Mimusops elengi. In silico techniques were employed to analyze the bioactivity of the plant, including target prediction, gene ontology analysis, OMIM analysis, and molecular docking analysis. The results revealed 36 phytocompounds that interacted with 1431 receptors in the human body, and two compounds - hederagenin and quercetin - showed exceptionally high binding affinities toward their corresponding receptors, IL6 and MMP9. These results provide important insight into the potential therapeutic activity of M. elengi and its compounds in combating COVID-19. However, further research and clinical trials are necessary to validate these findings and develop safe and effective drugs. The study highlights the importance of combining traditional medicine with modern scientific methods to find effective treatments for global health challenges. |
format | Online Article Text |
id | pubmed-10289265 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Elsevier B.V. |
record_format | MEDLINE/PubMed |
spelling | pubmed-102892652023-06-26 Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model Sai Ramesh, A. Adarshan, S. Lohedan, Hamad Naveen Kumar, T. Thasleema Nasrin, M.R. Aarthi Shree, G. Dinakarkumar, Yuvaraj Rajabathar, Jothi Ramalingam Karnan, Muthusamy Int J Biol Macromol Article The COVID-19 pandemic has been a global health crisis for over three years now, with the virus causing widespread illness and death. The urgent need for safe and effective therapeutic drugs has prompted the exploration of alternative medicine systems such as Ayurveda and Siddha. This study focuses on the potential therapeutic properties of the Ayurvedic plant, Mimusops elengi. In silico techniques were employed to analyze the bioactivity of the plant, including target prediction, gene ontology analysis, OMIM analysis, and molecular docking analysis. The results revealed 36 phytocompounds that interacted with 1431 receptors in the human body, and two compounds - hederagenin and quercetin - showed exceptionally high binding affinities toward their corresponding receptors, IL6 and MMP9. These results provide important insight into the potential therapeutic activity of M. elengi and its compounds in combating COVID-19. However, further research and clinical trials are necessary to validate these findings and develop safe and effective drugs. The study highlights the importance of combining traditional medicine with modern scientific methods to find effective treatments for global health challenges. Elsevier B.V. 2023-08-01 2023-06-23 /pmc/articles/PMC10289265/ /pubmed/37356683 http://dx.doi.org/10.1016/j.ijbiomac.2023.125553 Text en © 2023 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active. |
spellingShingle | Article Sai Ramesh, A. Adarshan, S. Lohedan, Hamad Naveen Kumar, T. Thasleema Nasrin, M.R. Aarthi Shree, G. Dinakarkumar, Yuvaraj Rajabathar, Jothi Ramalingam Karnan, Muthusamy Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title | Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title_full | Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title_fullStr | Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title_full_unstemmed | Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title_short | Computational analysis of the phytocompounds of Mimusops elengi against spike protein of SARS CoV2 – An Insilico model |
title_sort | computational analysis of the phytocompounds of mimusops elengi against spike protein of sars cov2 – an insilico model |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10289265/ https://www.ncbi.nlm.nih.gov/pubmed/37356683 http://dx.doi.org/10.1016/j.ijbiomac.2023.125553 |
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