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

ABSTRACT:

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.

SUBMITTER: Etemadi A

PROVIDER: S-EPMC8616691 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature

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

Etemadi Ali A Moradi Hamid Reza HR Mohammadian Farideh F Karimi-Jafari Mohammad Hossein MH Negahdari Babak B Asgari Yazdan Y Mazloomi Mohammadali M

Gene reports 20211126

<h4>Introduction</h4>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.<h4>Methods</h4>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 a ...[more]

PMID: 34849425

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