Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses-Reference-Cited by-同舟云学术

Molecular recognition of SARS-CoV-2 spike glycoprotein: quantum chemical hot spot and epitope analyses

Published:2021 Issue:13 Volume:12 Page:4722-4739
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Watanabe Chiduru¹²³⁴⁵^ORCID,Okiyama Yoshio⁶⁷⁸⁴^ORCID,Tanaka Shigenori⁹¹⁰¹¹¹²⁴^ORCID,Fukuzawa Kaori¹³¹⁴¹⁵⁴¹⁶,Honma Teruki¹²³⁴

Affiliation:

1. Center for Biosystems Dynamics Research

2. RIKEN

3. Yokohama

4. Japan

5. JST

6. Division of Medicinal Safety Science

7. National Institute of Health Sciences

8. Kawasaki

9. Department of Computational Science

10. Graduate School of System Informatics

11. Kobe University

12. Kobe

13. School of Pharmacy and Pharmaceutical Sciences

14. Hoshi University

15. Tokyo 142-8501

16. Department of Biomolecular Engineering

Abstract

Quantum chemical calculations investigated molecular recognition of SARS-CoV-2 spike glycoproteins including its N501Y variant for ACE2 and antibody. Hot spot and epitope analyses revealed key residues to design drugs and antibodies against COVID-19.

Funder

Japan Agency for Medical Research and Development

Japan Science and Technology Agency

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D0SC06528E

Reference79 articles.

1. Coronavirus disease (COVID-19) – World Health Organization , https://www.who.int/emergencies/diseases/novel-coronavirus-2019 , accessed October 2, 2020

2. Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

3. A noncompeting pair of human neutralizing antibodies block COVID-19 virus binding to its receptor ACE2

4. Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2

5. Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody

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