CaltechAUTHORS
  A Caltech Library Service

Copper(II) Inhibition of the SARS-CoV-2 Main Protease

Garza-López, Roberto A. and Kozak, John J. and Gray, Harry B. (2020) Copper(II) Inhibition of the SARS-CoV-2 Main Protease. American Chemical Society . (Unpublished) https://resolver.caltech.edu/CaltechAUTHORS:20210629-204239084

[img] PDF - Submitted Version
Creative Commons Attribution Non-commercial No Derivatives.

3MB

Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20210629-204239084

Abstract

In an analysis of the structural stability of the coronavirus main protease (Mpro), we identified regions of the protein that could be disabled by cobalt(III)-cation binding to histidines and cysteines [1]. Here we have extended our work to include copper(II) chelates, which we have docked to HIS 41 and CYS 145 in the Mpro active-site region. We have found stable docked structures where Cu(II) could readily bond to the CYS 145 thiolate, which would be lethal to the enzyme. We also started studying the Spike Protein, PDB ID: 6VXX and the region around the D614G mutant.


Item Type:Report or Paper (Discussion Paper)
Related URLs:
URLURL TypeDescription
https://doi.org/10.26434/chemrxiv.12673436.v1DOIDiscussion Paper
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7668746PubMed CentralDiscussion Paper
https://www.sciencedirect.com/science/article/pii/S0162013420302075?via=ihubRelated ItemSupplementary weblinks
ORCID:
AuthorORCID
Garza-López, Roberto A.0000-0002-9363-1842
Gray, Harry B.0000-0002-7937-7876
Additional Information:The content is available under CC BY NC ND 4.0 License. Jul 21, 2020 Version 1. Work at Caltech was supported by the Arnold and Mabel Beckman Foundation. Support at Pomona College was provided by the Howard Hughes Medical Institute Research Program and a Sontag Research Fellowship Award. Molecular graphics and analyses performed with UCSF Chimera, developed by the Resource for Biocomputing, Visualization, and Informatics at the University of California, San Francisco, with support from NIH P41-GM103311. Molecular graphics and analyses performed with UCSF ChimeraX, developed by the Resource for Biocomputing, Visualization, and Informatics at the University of California, San Francisco, with support from National Institutes of Health R01-GM129325 and the Office of Cyber Infrastructure and Computational Biology, National Institute of Allergy and Infectious Diseases. The author(s) have declared they have no conflict of interest with regard to this content. The author(s) have declared ethics committee/IRB approval is not relevant to this content.
Group:COVID-19
Funders:
Funding AgencyGrant Number
Arnold and Mabel Beckman FoundationUNSPECIFIED
Howard Hughes Medical Institute (HHMI)UNSPECIFIED
Sontag FoundationUNSPECIFIED
NIHP41-GM103311
NIHR01-GM129325
National Institute of Allergy and Infectious DiseasesUNSPECIFIED
Subject Keywords:SARS-CoV-2; Main Protease; Inhibition; Copper(II) ligands; Mpro; HIS 41; CYS 145; 6LU7; 6VXX; Homodimer; Schiff base; AutoDock Vina; Spike Protein; Spike glycoprotein
PubMed Central ID:PMC7668746
Record Number:CaltechAUTHORS:20210629-204239084
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20210629-204239084
Official Citation:Garza-Lopez RA, Kozak JJ, Gray HB. Copper(II) Inhibition of the SARS-CoV-2 Main Protease. ChemRxiv. Cambridge: Cambridge Open Engage; 2020; This content is a preprint and has not been peer-reviewed.
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:109656
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:29 Jun 2021 22:27
Last Modified:29 Jun 2021 22:27

Repository Staff Only: item control page