skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Design of SARS-CoV-2 PLpro Inhibitors for COVID-19 Antiviral Therapy Leveraging Binding Cooperativit

Journal Article · · J. Med. Chem.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; National Institutes of Health (NIH)
OSTI ID:
1855444
Journal Information:
J. Med. Chem., Vol. 65, Issue (4)
Country of Publication:
United States
Language:
ENGLISH

References (43)

A pneumonia outbreak associated with a new coronavirus of probable bat origin journal February 2020
Resurgence of COVID-19 in Manaus, Brazil, despite high seroprevalence journal February 2021
Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum journal August 2021
Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation journal February 2020
Coronavirus biology and replication: implications for SARS-CoV-2 journal October 2020
Therapeutic strategies in an outbreak scenario to treat the novel coronavirus originating in Wuhan, China journal January 2020
Mechanisms and enzymes involved in SARS coronavirus genome expression journal September 2003
Remdesivir for the Treatment of Covid-19 — Final Report journal November 2020
Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein journal January 2018
Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme journal March 2006
The Papain-Like Protease of Severe Acute Respiratory Syndrome Coronavirus Has Deubiquitinating Activity journal November 2005
SARS coronavirus papain-like protease inhibits the type I interferon signaling pathway through interaction with the STING-TRAF3-TBK1 complex journal March 2014
Severe Acute Respiratory Syndrome Coronavirus Papain-Like Protease Ubiquitin-Like Domain and Catalytic Domain Regulate Antagonism of IRF3 and NF-κB Signaling journal April 2009
Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating Activity of SARS-CoV Papain-Like Protease journal May 2014
Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity journal July 2020
Characterization and Noncovalent Inhibition of the Deubiquitinase and deISGylase Activity of SARS-CoV-2 Papain-Like Protease journal May 2020
The Papain-Like Protease from the Severe Acute Respiratory Syndrome Coronavirus Is a Deubiquitinating Enzyme journal November 2005
An inflammatory cytokine signature predicts COVID-19 severity and survival journal August 2020
Cysteine proteases as therapeutic targets: does selectivity matter? A systematic review of calpain and cathepsin inhibitors journal November 2015
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease journal June 2020
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19 journal October 2020
A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication journal October 2008
Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome−Coronavirus Papain-Like Protease journal August 2009
Severe Acute Respiratory Syndrome Coronavirus Papain-like Novel Protease Inhibitors: Design, Synthesis, Protein−Ligand X-ray Structure and Biological Evaluation journal July 2010
X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases journal March 2014
Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics journal May 2020
The SARS-coronavirus papain-like protease: Structure, function and inhibition by designed antiviral compounds journal March 2015
Mechanism and inhibition of the papain‐like protease, PLpro, of SARS‐CoV‐2 journal August 2020
Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design journal October 2020
Enhancement of Hydrophobic Interactions and Hydrogen Bond Strength by Cooperativity: Synthesis, Modeling, and Molecular Dynamics Simulations of a Congeneric Series of Thrombin Inhibitors journal February 2010
Structure-Based Optimization of Potent and Selective Inhibitors of the Tyrosine Kinase Erythropoietin Producing Human Hepatocellular Carcinoma Receptor B4 (EphB4) journal September 2009
High-Throughput Screening for Drugs That Inhibit Papain-Like Protease in SARS-CoV-2 journal October 2020
Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA journal July 2015
Drug–Target Kinetics in Drug Discovery journal April 2017
Immunology of COVID-19: Current State of the Science journal June 2020
Residence, Clinical Features, and Genetic Risk Factors Associated with Symptoms of COVID-19 in a Cohort of Older People in Madrid journal January 2021
ApoE-Isoform-Dependent SARS-CoV-2 Neurotropism and Cellular Response journal February 2021
Protein production by auto-induction in high-density shaking cultures journal May 2005
Integration, scaling, space-group assignment and post-refinement journal January 2010
Toward the structural genomics of complexes: Crystal structure of a PE/PPE protein complex from Mycobacterium tuberculosis journal May 2006
Molecular replacement with MOLREP journal December 2009
Refinement of Macromolecular Structures by the Maximum-Likelihood Method journal May 1997
Features and development of Coot journal March 2010