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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...

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Autores principales: Sai Ramesh, A., Adarshan, S., Lohedan, Hamad, Naveen Kumar, T., Thasleema Nasrin, M.R., Aarthi Shree, G., Dinakarkumar, Yuvaraj, Rajabathar, Jothi Ramalingam, Karnan, Muthusamy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2023
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.
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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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