Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach

The health pandemic (covid-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected, to date, over 233 million people and over 4.77 million deaths worldwide. Therefore, it is important to offer a wide understanding of the ability of potential antiviral biomolecules...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Mountasser Douma, Brahim Boualy, Najat Manaut, Redouan Hammal, Said Byadi, Meryem Lahlali, Fatima-Ezzahra Eddaoudi, Siham Mallouk
Formato:	article
Lenguaje:	EN
Publicado:	Taylor & Francis Group 2021
Materias:	covid-19 sars-cov-2 rbd sulphated polysaccharides molecular docking entry inhibitors vaccine adjuvants Science (General) Q1-390
Acceso en línea:	https://doaj.org/article/8902aa91f69648fdb96f1d20a1b89b3d
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

id	oai:doaj.org-article:8902aa91f69648fdb96f1d20a1b89b3d
record_format	dspace
spelling	oai:doaj.org-article:8902aa91f69648fdb96f1d20a1b89b3d2021-11-11T14:23:41ZSulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach1658-365510.1080/16583655.2021.1999068https://doaj.org/article/8902aa91f69648fdb96f1d20a1b89b3d2021-01-01T00:00:00Zhttp://dx.doi.org/10.1080/16583655.2021.1999068https://doaj.org/toc/1658-3655The health pandemic (covid-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected, to date, over 233 million people and over 4.77 million deaths worldwide. Therefore, it is important to offer a wide understanding of the ability of potential antiviral biomolecules to combat this virus, which begins to develop new variants, potentially more transmissible and infectious. Sulphated polysaccharides (SPs) from seaweeds have been reported for their antiviral activity and their potential as vaccine adjuvants. However, their effect against SARS-CoV-2 remains very limited. In this study, seventeen ligands of SPs were screened for effective interaction with the domain (RBD) spike protein using a computational approach. The obtained results indicated that two PS ligands (Xylan sulphate and Heparin tetrasaccharide N-sulphated) effectively bind to the RBD protein and could efficiently inhibit viral entry. Overall, data support the potential importance of SPs against SARS-CoV-2 as entry inhibitors and vaccine adjuvants. Highlights Seventeen ligands of sulphated polysaccharides (SPs) were subjected to a molecular docking to assess their interaction with SARS-CoV-2 RBD spike protein; Two SP ligands showed an effective binding affinity to the RBD protein and could efficiently inhibit viral entry; One effective SP ligand (Xylan Sulphate) was predicted using ADMETox evaluation as good inhibitor; Effective candidates can have an importance against SARS-CoV-2 as entry inhibitors and vaccine adjuvants.Mountasser DoumaBrahim BoualyNajat ManautRedouan HammalSaid ByadiMeryem LahlaliFatima-Ezzahra EddaoudiSiham MalloukTaylor & Francis Grouparticlecovid-19sars-cov-2 rbdsulphated polysaccharidesmolecular docking entry inhibitorsvaccine adjuvantsScience (General)Q1-390ENJournal of Taibah University for Science, Vol 15, Iss 1, Pp 649-655 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	covid-19 sars-cov-2 rbd sulphated polysaccharides molecular docking entry inhibitors vaccine adjuvants Science (General) Q1-390
spellingShingle	covid-19 sars-cov-2 rbd sulphated polysaccharides molecular docking entry inhibitors vaccine adjuvants Science (General) Q1-390 Mountasser Douma Brahim Boualy Najat Manaut Redouan Hammal Said Byadi Meryem Lahlali Fatima-Ezzahra Eddaoudi Siham Mallouk Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
description	The health pandemic (covid-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has infected, to date, over 233 million people and over 4.77 million deaths worldwide. Therefore, it is important to offer a wide understanding of the ability of potential antiviral biomolecules to combat this virus, which begins to develop new variants, potentially more transmissible and infectious. Sulphated polysaccharides (SPs) from seaweeds have been reported for their antiviral activity and their potential as vaccine adjuvants. However, their effect against SARS-CoV-2 remains very limited. In this study, seventeen ligands of SPs were screened for effective interaction with the domain (RBD) spike protein using a computational approach. The obtained results indicated that two PS ligands (Xylan sulphate and Heparin tetrasaccharide N-sulphated) effectively bind to the RBD protein and could efficiently inhibit viral entry. Overall, data support the potential importance of SPs against SARS-CoV-2 as entry inhibitors and vaccine adjuvants. Highlights Seventeen ligands of sulphated polysaccharides (SPs) were subjected to a molecular docking to assess their interaction with SARS-CoV-2 RBD spike protein; Two SP ligands showed an effective binding affinity to the RBD protein and could efficiently inhibit viral entry; One effective SP ligand (Xylan Sulphate) was predicted using ADMETox evaluation as good inhibitor; Effective candidates can have an importance against SARS-CoV-2 as entry inhibitors and vaccine adjuvants.
format	article
author	Mountasser Douma Brahim Boualy Najat Manaut Redouan Hammal Said Byadi Meryem Lahlali Fatima-Ezzahra Eddaoudi Siham Mallouk
author_facet	Mountasser Douma Brahim Boualy Najat Manaut Redouan Hammal Said Byadi Meryem Lahlali Fatima-Ezzahra Eddaoudi Siham Mallouk
author_sort	Mountasser Douma
title	Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
title_short	Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
title_full	Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
title_fullStr	Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
title_full_unstemmed	Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach
title_sort	sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against sars-cov-2 rbd spike protein: a computational approach
publisher	Taylor & Francis Group
publishDate	2021
url	https://doaj.org/article/8902aa91f69648fdb96f1d20a1b89b3d
work_keys_str_mv	AT mountasserdouma sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT brahimboualy sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT najatmanaut sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT redouanhammal sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT saidbyadi sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT meryemlahlali sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT fatimaezzahraeddaoudi sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach AT sihammallouk sulphatedpolysaccharidesfromseaweedsaspotentialentryinhibitorsandvaccineadjuvantsagainstsarscov2rbdspikeproteinacomputationalapproach
_version_	1718438955781718016

Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach

Ejemplares similares