Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective

INTRODUCTION: The COVID-19 pandemic is now affecting all people around the world and getting worse. New antiviral medications are desperately needed other than the few approved medications that have shown no promising efficacy so far. METHODS: Here we report three blocking binders for targeting SARS...

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Autores principales: Etemadi, Ali, Moradi, Hamid Reza, Mohammadian, Farideh, Karimi-Jafari, Mohammad Hossein, Negahdari, Babak, Asgari, Yazdan, Mazloomi, Mohammadali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Inc. 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8616691/
https://www.ncbi.nlm.nih.gov/pubmed/34849425
http://dx.doi.org/10.1016/j.genrep.2021.101452
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author Etemadi, Ali
Moradi, Hamid Reza
Mohammadian, Farideh
Karimi-Jafari, Mohammad Hossein
Negahdari, Babak
Asgari, Yazdan
Mazloomi, Mohammadali
author_facet Etemadi, Ali
Moradi, Hamid Reza
Mohammadian, Farideh
Karimi-Jafari, Mohammad Hossein
Negahdari, Babak
Asgari, Yazdan
Mazloomi, Mohammadali
author_sort Etemadi, Ali
collection PubMed
description INTRODUCTION: The COVID-19 pandemic is now affecting all people around the world and getting worse. New antiviral medications are desperately needed other than the few approved medications that have shown no promising efficacy so far. METHODS: Here we report three blocking binders for targeting SARS-CoV-2 spike protein to block the interaction between the spike protein on the SARS-CoV-2 and the angiotensin-converting enzyme 2 (ACE2) receptors, responsible for viral homing into the alveolar epithelium type II cells (AECII). RESULTS: The design process is based on the collected natural scaffolds and using Rosetta interface for designing the binders. CONCLUSION: Based on the structural analysis, three binders were selected, and the results showed that they might be promising as new therapeutic targets for blocking COVID-19.
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spelling pubmed-86166912021-11-26 Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective Etemadi, Ali Moradi, Hamid Reza Mohammadian, Farideh Karimi-Jafari, Mohammad Hossein Negahdari, Babak Asgari, Yazdan Mazloomi, Mohammadali Gene Rep Article INTRODUCTION: The COVID-19 pandemic is now affecting all people around the world and getting worse. New antiviral medications are desperately needed other than the few approved medications that have shown no promising efficacy so far. METHODS: Here we report three blocking binders for targeting SARS-CoV-2 spike protein to block the interaction between the spike protein on the SARS-CoV-2 and the angiotensin-converting enzyme 2 (ACE2) receptors, responsible for viral homing into the alveolar epithelium type II cells (AECII). RESULTS: The design process is based on the collected natural scaffolds and using Rosetta interface for designing the binders. CONCLUSION: Based on the structural analysis, three binders were selected, and the results showed that they might be promising as new therapeutic targets for blocking COVID-19. Elsevier Inc. 2022-03 2021-11-26 /pmc/articles/PMC8616691/ /pubmed/34849425 http://dx.doi.org/10.1016/j.genrep.2021.101452 Text en © 2021 Elsevier Inc. 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
Etemadi, Ali
Moradi, Hamid Reza
Mohammadian, Farideh
Karimi-Jafari, Mohammad Hossein
Negahdari, Babak
Asgari, Yazdan
Mazloomi, Mohammadali
Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title_full Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title_fullStr Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title_full_unstemmed Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title_short Binder design for targeting SARS-CoV-2 spike protein: An in silico perspective
title_sort binder design for targeting sars-cov-2 spike protein: an in silico perspective
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8616691/
https://www.ncbi.nlm.nih.gov/pubmed/34849425
http://dx.doi.org/10.1016/j.genrep.2021.101452
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