Cargando…

SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective

Different SARS-CoV-2 new variants emerged and spread during the past few months, sparking infections and death counts. The new variant B.1.617 (delta variant) sparked in India in the past few months, causing the highest records. The B.1.617 variant of SARS-CoV-2 has the double mutations E484Q and L4...

Descripción completa

Detalles Bibliográficos
Autores principales: Elfiky, Abdo A., Ibrahim, Ibrahim M., Elgohary, Alaa M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Netherlands 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9395890/
https://www.ncbi.nlm.nih.gov/pubmed/36034049
http://dx.doi.org/10.1007/s10989-022-10450-w
_version_ 1784771802171441152
author Elfiky, Abdo A.
Ibrahim, Ibrahim M.
Elgohary, Alaa M.
author_facet Elfiky, Abdo A.
Ibrahim, Ibrahim M.
Elgohary, Alaa M.
author_sort Elfiky, Abdo A.
collection PubMed
description Different SARS-CoV-2 new variants emerged and spread during the past few months, sparking infections and death counts. The new variant B.1.617 (delta variant) sparked in India in the past few months, causing the highest records. The B.1.617 variant of SARS-CoV-2 has the double mutations E484Q and L452R on its spike Receptor Binding Domain (RBD). The first mutation is like the reported South African and the Brazilian variants (501.V2 and B.1.1.248). This mutation lies in the region C480-C488, which we predicted before to be recognized by the host-cell receptor; Glucose Regulated Protein 78 (GRP78). In the current study, we test the binding affinity of the host-cell receptor GRP78 to the delta variant spike RBD using molecular docking and molecular dynamics simulations of up to 100 ns. Additionally, the ACE2-RBD is tested by protein–protein docking. The results reveal equal average binding affinities of the GRP78 against wildtype and delta variant spikes. This supports our previous predictions of the contribution of GRP78 in SARS-CoV-2 spike recognition as an auxiliary route for entry.
format Online
Article
Text
id pubmed-9395890
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher Springer Netherlands
record_format MEDLINE/PubMed
spelling pubmed-93958902022-08-23 SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective Elfiky, Abdo A. Ibrahim, Ibrahim M. Elgohary, Alaa M. Int J Pept Res Ther Article Different SARS-CoV-2 new variants emerged and spread during the past few months, sparking infections and death counts. The new variant B.1.617 (delta variant) sparked in India in the past few months, causing the highest records. The B.1.617 variant of SARS-CoV-2 has the double mutations E484Q and L452R on its spike Receptor Binding Domain (RBD). The first mutation is like the reported South African and the Brazilian variants (501.V2 and B.1.1.248). This mutation lies in the region C480-C488, which we predicted before to be recognized by the host-cell receptor; Glucose Regulated Protein 78 (GRP78). In the current study, we test the binding affinity of the host-cell receptor GRP78 to the delta variant spike RBD using molecular docking and molecular dynamics simulations of up to 100 ns. Additionally, the ACE2-RBD is tested by protein–protein docking. The results reveal equal average binding affinities of the GRP78 against wildtype and delta variant spikes. This supports our previous predictions of the contribution of GRP78 in SARS-CoV-2 spike recognition as an auxiliary route for entry. Springer Netherlands 2022-08-22 2022 /pmc/articles/PMC9395890/ /pubmed/36034049 http://dx.doi.org/10.1007/s10989-022-10450-w Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Elfiky, Abdo A.
Ibrahim, Ibrahim M.
Elgohary, Alaa M.
SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title_full SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title_fullStr SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title_full_unstemmed SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title_short SARS-CoV-2 Delta Variant is Recognized Through GRP78 Host-Cell Surface Receptor, In Silico Perspective
title_sort sars-cov-2 delta variant is recognized through grp78 host-cell surface receptor, in silico perspective
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9395890/
https://www.ncbi.nlm.nih.gov/pubmed/36034049
http://dx.doi.org/10.1007/s10989-022-10450-w
work_keys_str_mv AT elfikyabdoa sarscov2deltavariantisrecognizedthroughgrp78hostcellsurfacereceptorinsilicoperspective
AT ibrahimibrahimm sarscov2deltavariantisrecognizedthroughgrp78hostcellsurfacereceptorinsilicoperspective
AT elgoharyalaam sarscov2deltavariantisrecognizedthroughgrp78hostcellsurfacereceptorinsilicoperspective