Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein

SARS-CoV-2 has become a big challenge for the scientific community worldwide. SARS-CoV-2 enters into the host cell by the spike protein binding with an ACE2 receptor present on the host cell. Developing safe and effective inhibitor appears an urgent need to interrupt the binding of SARS-CoV-2 spike...

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Autores principales:	Gulam Rabbani, Saeyoung Nate Ahn, Hyunhwa Kwon, Khurshid Ahmad, Inho Choi
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	ATN-161 ACE2 Protein-protein interactions Severe acute respiratory syndrome coronavirus-2 Western blot Biology (General) QH301-705.5 Biochemistry QD415-436
Acceso en línea:	https://doaj.org/article/6a2d02a765534ab39ce86ff1c20025a7
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spelling	oai:doaj.org-article:6a2d02a765534ab39ce86ff1c20025a72021-11-14T04:34:29ZPenta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein2405-580810.1016/j.bbrep.2021.101170https://doaj.org/article/6a2d02a765534ab39ce86ff1c20025a72021-12-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2405580821002648https://doaj.org/toc/2405-5808SARS-CoV-2 has become a big challenge for the scientific community worldwide. SARS-CoV-2 enters into the host cell by the spike protein binding with an ACE2 receptor present on the host cell. Developing safe and effective inhibitor appears an urgent need to interrupt the binding of SARS-CoV-2 spike protein with ACE2 receptor in order to reduce the SARS-CoV-2 infection. We have examined the penta-peptide ATN-161 as potential inhibitor of ACE2 and SARS-CoV-2 spike protein binding, where ATN-161 has been commercially approved for the safety and possess high affinity and specificity towards the receptor binding domain (RBD) of S1 subunit in SARS-CoV-2 spike protein. We carried out experiments and confirmed these phenomena that the virus bindings were indeed minimized. ATN-161 peptide can be used as an inhibitor of protein-protein interaction (PPI) stands as a crucial interaction in biological systems. The molecular docking finding suggests that the binding energy of the ACE2-spike protein complex is reduced in the presence of ATN-161. Protein-protein docking binding energy (-40.50 kcal/mol) of the spike glycoprotein toward the human ACE2 and binding of ATN-161 at their binding interface reduced the biding energy (-26.25 kcal/mol). The finding of this study suggests that ATN-161 peptide can mask the RBD of the spike protein and be considered as a neutralizing candidate by binding with the ACE2 receptor. Peptide-based masking of spike S1 protein (RBD) and its neutralization is a highly promising strategy to prevent virus penetration into the host cell. Thus masking of the RBD leads to the loss of receptor recognition property which can reduce the chance of infection host cells.Gulam RabbaniSaeyoung Nate AhnHyunhwa KwonKhurshid AhmadInho ChoiElsevierarticleATN-161ACE2Protein-protein interactionsSevere acute respiratory syndrome coronavirus-2Western blotBiology (General)QH301-705.5BiochemistryQD415-436ENBiochemistry and Biophysics Reports, Vol 28, Iss , Pp 101170- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	ATN-161 ACE2 Protein-protein interactions Severe acute respiratory syndrome coronavirus-2 Western blot Biology (General) QH301-705.5 Biochemistry QD415-436
spellingShingle	ATN-161 ACE2 Protein-protein interactions Severe acute respiratory syndrome coronavirus-2 Western blot Biology (General) QH301-705.5 Biochemistry QD415-436 Gulam Rabbani Saeyoung Nate Ahn Hyunhwa Kwon Khurshid Ahmad Inho Choi Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
description	SARS-CoV-2 has become a big challenge for the scientific community worldwide. SARS-CoV-2 enters into the host cell by the spike protein binding with an ACE2 receptor present on the host cell. Developing safe and effective inhibitor appears an urgent need to interrupt the binding of SARS-CoV-2 spike protein with ACE2 receptor in order to reduce the SARS-CoV-2 infection. We have examined the penta-peptide ATN-161 as potential inhibitor of ACE2 and SARS-CoV-2 spike protein binding, where ATN-161 has been commercially approved for the safety and possess high affinity and specificity towards the receptor binding domain (RBD) of S1 subunit in SARS-CoV-2 spike protein. We carried out experiments and confirmed these phenomena that the virus bindings were indeed minimized. ATN-161 peptide can be used as an inhibitor of protein-protein interaction (PPI) stands as a crucial interaction in biological systems. The molecular docking finding suggests that the binding energy of the ACE2-spike protein complex is reduced in the presence of ATN-161. Protein-protein docking binding energy (-40.50 kcal/mol) of the spike glycoprotein toward the human ACE2 and binding of ATN-161 at their binding interface reduced the biding energy (-26.25 kcal/mol). The finding of this study suggests that ATN-161 peptide can mask the RBD of the spike protein and be considered as a neutralizing candidate by binding with the ACE2 receptor. Peptide-based masking of spike S1 protein (RBD) and its neutralization is a highly promising strategy to prevent virus penetration into the host cell. Thus masking of the RBD leads to the loss of receptor recognition property which can reduce the chance of infection host cells.
format	article
author	Gulam Rabbani Saeyoung Nate Ahn Hyunhwa Kwon Khurshid Ahmad Inho Choi
author_facet	Gulam Rabbani Saeyoung Nate Ahn Hyunhwa Kwon Khurshid Ahmad Inho Choi
author_sort	Gulam Rabbani
title	Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
title_short	Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
title_full	Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
title_fullStr	Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
title_full_unstemmed	Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein
title_sort	penta-peptide atn-161 based neutralization mechanism of sars-cov-2 spike protein
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/6a2d02a765534ab39ce86ff1c20025a7
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Penta-peptide ATN-161 based neutralization mechanism of SARS-CoV-2 spike protein

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