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Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()

World Health Organization declared COVID-19 as a global pandemic. Till now, a diverse array of drugs failed to combat. There is an immense need of novel lead molecules on a urgent basis. Medicinal plants are the reservoir of secondary metabolites. In silico approach has been carried out to dock the...

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Autores principales: Thakkar, Sampark S., Shelat, Foram, Thakor, Parth
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Egyptian Petroleum Research Institute. Production and hosting by Elsevier B.V. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7901307/
http://dx.doi.org/10.1016/j.ejpe.2021.02.005
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author Thakkar, Sampark S.
Shelat, Foram
Thakor, Parth
author_facet Thakkar, Sampark S.
Shelat, Foram
Thakor, Parth
author_sort Thakkar, Sampark S.
collection PubMed
description World Health Organization declared COVID-19 as a global pandemic. Till now, a diverse array of drugs failed to combat. There is an immense need of novel lead molecules on a urgent basis. Medicinal plants are the reservoir of secondary metabolites. In silico approach has been carried out to dock the ligands (various secondary metabolites from Tinospora cordifolia) to the target (SARS-CoV-2 main protease) and compared its efficacy against standard drugs (Azithromycin, Chloroquine, Hydroxychloroquine, Favipiravir, Remdesivir). In silico molecular docking approach provides insight into the screened molecules that might prove to be an effective inhibitor for SARS-CoV-2. Out of five standard drug molecules, two widely used antiviral drugs (Favipiravir and Remdesivir) are ascribed as the most potent molecules based on their highest docking score in the present study. Columbin, Tinosporide, N-trans-feruloyl-tyramine-diacetate, Amritoside C, Amritoside B, Amritoside A, Tinocordifolin, Palmatoside G, Palmatoside F, and Maslinic acids are other molecules considered to be the key molecules based on their docking score (range between -5.02 to −5.72).
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spelling pubmed-79013072021-02-24 Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2() Thakkar, Sampark S. Shelat, Foram Thakor, Parth Egyptian Journal of Petroleum Full Length Article World Health Organization declared COVID-19 as a global pandemic. Till now, a diverse array of drugs failed to combat. There is an immense need of novel lead molecules on a urgent basis. Medicinal plants are the reservoir of secondary metabolites. In silico approach has been carried out to dock the ligands (various secondary metabolites from Tinospora cordifolia) to the target (SARS-CoV-2 main protease) and compared its efficacy against standard drugs (Azithromycin, Chloroquine, Hydroxychloroquine, Favipiravir, Remdesivir). In silico molecular docking approach provides insight into the screened molecules that might prove to be an effective inhibitor for SARS-CoV-2. Out of five standard drug molecules, two widely used antiviral drugs (Favipiravir and Remdesivir) are ascribed as the most potent molecules based on their highest docking score in the present study. Columbin, Tinosporide, N-trans-feruloyl-tyramine-diacetate, Amritoside C, Amritoside B, Amritoside A, Tinocordifolin, Palmatoside G, Palmatoside F, and Maslinic acids are other molecules considered to be the key molecules based on their docking score (range between -5.02 to −5.72). Egyptian Petroleum Research Institute. Production and hosting by Elsevier B.V. 2021-03 2021-02-23 /pmc/articles/PMC7901307/ http://dx.doi.org/10.1016/j.ejpe.2021.02.005 Text en © 2021 Egyptian Petroleum Research Institute. Production and hosting by Elsevier B.V. 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 Full Length Article
Thakkar, Sampark S.
Shelat, Foram
Thakor, Parth
Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title_full Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title_fullStr Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title_full_unstemmed Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title_short Magical bullets from an indigenous Indian medicinal plant Tinospora cordifolia: An in silico approach for the antidote of SARS-CoV-2()
title_sort magical bullets from an indigenous indian medicinal plant tinospora cordifolia: an in silico approach for the antidote of sars-cov-2()
topic Full Length Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7901307/
http://dx.doi.org/10.1016/j.ejpe.2021.02.005
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