Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding-Reference-Cited by-同舟云学术

Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD–ACE2 binding

Published:2021 Issue:46 Volume:23 Page:26451-26458
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aggarwal Abhishek¹^ORCID,Naskar Supriyo¹^ORCID,Maroli Nikhil¹,Gorai Biswajit¹,Dixit Narendra M.²³,Maiti Prabal K.¹^ORCID

Affiliation:

1. Center for Condensed Matter Theory, Department of Physics, Indian Institute of Science, Bangalore 560012, India

2. Department of Chemical Engineering and Centre for Biosystems Science and Engineering, Indian Institute of Science, Bangalore 560012, India

3. Centre for Biosystems Science and Engineering, Indian Institute of Science, Bangalore 560012, India

Abstract

Significant secondary structural changes in the SARS-CoV-2 RBD upon single (N501Y), double (E484Q and L452R) and triple (N501Y, E484Q, and L452R) mutations lead to different binding affinities of the variants to the human ACE2 receptor.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP04005G

Reference28 articles.

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2. Characterization of the receptor-binding domain (RBD) of 2019 novel coronavirus: implication for development of RBD protein as a viral attachment inhibitor and vaccine

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4. A Novel Coronavirus from Patients with Pneumonia in China, 2019

5. The potential role of procyanidin as a therapeutic agent against SARS-CoV-2: a text mining, molecular docking and molecular dynamics simulation approach

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