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GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective

Mucormycosis is a severe fungal infection reported in many cancer survivors, diabetic and immune-suppressed patients during organ transplants. A vast spark in the reported COVID-19 cases is noticed in India during the second wave in May 2021, when Mucormycosis is declared an epidemic. Despite being...

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Autores principales: Elgohary, Alaa M., Elfiky, Abdo A., Barakat, Khaled
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Ltd. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8536376/
https://www.ncbi.nlm.nih.gov/pubmed/34695683
http://dx.doi.org/10.1016/j.compbiomed.2021.104956
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author Elgohary, Alaa M.
Elfiky, Abdo A.
Barakat, Khaled
author_facet Elgohary, Alaa M.
Elfiky, Abdo A.
Barakat, Khaled
author_sort Elgohary, Alaa M.
collection PubMed
description Mucormycosis is a severe fungal infection reported in many cancer survivors, diabetic and immune-suppressed patients during organ transplants. A vast spark in the reported COVID-19 cases is noticed in India during the second wave in May 2021, when Mucormycosis is declared an epidemic. Despite being a rare disease, the mortality rate associated with Mucormycosis is more than 40%. Spore coat proteins (CotH) are essential proteins in many pathogenic bacteria and fungi. CotH3 was reported as the vital protein required for fungal virulence in Mucormycosis. We previously reported the involvement of the host cell-surface receptor GRP78 in SARS-CoV-2 spike recognition. Additionally, GRP78 is known to be the virulence factor during Mucormycosis. Using state-of-the-art structural bioinformatics and molecular modeling tools, we predicted the GRP78 binding site to the Rhizopus delemar CotH3 protein. Our findings pave the way toward rationally designing small molecule inhibitors targeting the GRP78 and its counter proteins in both pathogenic viral (SARS-CoV-2 spike) and fungal (R. delemar CotH3) diseases.
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spelling pubmed-85363762021-10-25 GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective Elgohary, Alaa M. Elfiky, Abdo A. Barakat, Khaled Comput Biol Med Article Mucormycosis is a severe fungal infection reported in many cancer survivors, diabetic and immune-suppressed patients during organ transplants. A vast spark in the reported COVID-19 cases is noticed in India during the second wave in May 2021, when Mucormycosis is declared an epidemic. Despite being a rare disease, the mortality rate associated with Mucormycosis is more than 40%. Spore coat proteins (CotH) are essential proteins in many pathogenic bacteria and fungi. CotH3 was reported as the vital protein required for fungal virulence in Mucormycosis. We previously reported the involvement of the host cell-surface receptor GRP78 in SARS-CoV-2 spike recognition. Additionally, GRP78 is known to be the virulence factor during Mucormycosis. Using state-of-the-art structural bioinformatics and molecular modeling tools, we predicted the GRP78 binding site to the Rhizopus delemar CotH3 protein. Our findings pave the way toward rationally designing small molecule inhibitors targeting the GRP78 and its counter proteins in both pathogenic viral (SARS-CoV-2 spike) and fungal (R. delemar CotH3) diseases. Elsevier Ltd. 2021-12 2021-10-23 /pmc/articles/PMC8536376/ /pubmed/34695683 http://dx.doi.org/10.1016/j.compbiomed.2021.104956 Text en © 2021 Elsevier Ltd. 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
Elgohary, Alaa M.
Elfiky, Abdo A.
Barakat, Khaled
GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title_full GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title_fullStr GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title_full_unstemmed GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title_short GRP78: A possible relationship of COVID-19 and the mucormycosis; in silico perspective
title_sort grp78: a possible relationship of covid-19 and the mucormycosis; in silico perspective
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8536376/
https://www.ncbi.nlm.nih.gov/pubmed/34695683
http://dx.doi.org/10.1016/j.compbiomed.2021.104956
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