Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface-Reference-Cited by-同舟云学术

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Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

Published:2021-07-01 Issue:26 Volume:12 Page:6218-6226
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

El Ahdab Dina¹²,Lagardère Louis¹³,Inizan Théo Jaffrelot¹,Célerse Fréderic¹⁴^ORCID,Liu Chengwen⁵^ORCID,Adjoua Olivier¹,Jolly Luc-Henri³,Gresh Nohad¹^ORCID,Hobaika Zeina²,Ren Pengyu⁵^ORCID,Maroun Richard G.²,Piquemal Jean-Philip¹⁵⁶^ORCID

Affiliation:

1. Sorbonne Université, LCT, UMR 7616 CNRS, 75005 Paris, France

2. Université Saint-Joseph de Beyrouth, UR EGP, Centre d’Analyses et de Recherche, Faculté des Sciences, 1104 2020 Beirut, Lebanon

3. Sorbonne Université, IP2CT, FR 2622 CNRS, 75005 Paris, France

4. Sorbonne Université, IPCM, UMR 8232 CNRS, 75005 Paris, France

5. Department of Biomedical Engineering, University of Texas at Austin, Austin, Texas 78712, United States

6. Institut Universitaire de France, 75005 Paris, France

Funder

Agence Nationale de la Recherche

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c01460

Reference52 articles.

1. Coronaviruses — drug discovery and therapeutic options

2. The interaction between severe acute respiratory syndrome coronavirus 3C-like proteinase and a dimeric inhibitor by capillary electrophoresis

3. Recent Progress in the Drug Development Targeting SARS-CoV-2 Main Protease as Treatment for COVID-19

4. An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

5. Characterization and Inhibition of the Main Protease of Severe Acute Respiratory Syndrome Coronavirus

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