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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Detalles Bibliográficos
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
Descripción
Sumario: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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