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

Title: Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL[superscript pro] covalent inhibito

Journal Article · · Eur. J. Med. Chem.
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ;

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Organization:
DOE - Office Of Science; FOREIGN
OSTI ID:
1845534
Journal Information:
Eur. J. Med. Chem., Vol. 229
Country of Publication:
United States
Language:
ENGLISH

References (55)

SARS-CoV-2 in fruit bats, ferrets, pigs, and chickens: an experimental transmission study journal September 2020
A review of studies on animal reservoirs of the SARS coronavirus journal April 2008
Temporal estimates of case-fatality rate for COVID-19 outbreaks in Canada and the United States journal May 2020
Estimating COVID-19 mortality in Italy early in the COVID-19 pandemic journal May 2021
Six months of COVID vaccines: what 1.7 billion doses have taught scientists journal June 2021
Viral targets for vaccines against COVID-19 journal December 2020
The Effectiveness of the Two-Dose BNT162b2 Vaccine: Analysis of Real-World Data journal May 2021
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities journal November 2020
A pneumonia outbreak associated with a new coronavirus of probable bat origin journal February 2020
Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease journal September 2020
Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents journal August 2008
Structure-Based Design, Synthesis, and Biological Evaluation of Irreversible Human Rhinovirus 3C Protease Inhibitors. 4. Incorporation of P 1 Lactam Moieties as l -Glutamine Replacements journal April 1999
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors journal April 2020
Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients journal July 2020
Malleability of the SARS-CoV-2 3CL Mpro Active-Site Cavity Facilitates Binding of Clinical Antivirals journal December 2020
Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography journal June 2020
An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy journal February 2016
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors journal March 2020
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication journal August 2020
Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of Anti-SARS Drugs journal June 2003
Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases journal March 2020
Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19 journal October 2020
Peptidomimetic α-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability journal July 2021
Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors journal January 2021
α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment journal February 2020
Improved SARS-CoV-2 Mpro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies journal October 2021
Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors journal June 2005
Aryl methylene ketones and fluorinated methylene ketones as reversible inhibitors for severe acute respiratory syndrome (SARS) 3C-like proteinase journal October 2008
Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations journal February 2021
Identification of SARS-CoV-2 3CL Protease Inhibitors by a Quantitative High-Throughput Screening journal September 2020
Covalent inhibitors design and discovery journal September 2017
COVALENT DRUGS FORM LONG-LIVED TIES: IRREVERSIBLE INHIBITORS may provide unique benefits in drug development journal September 2011
3-Oxo-hexahydro-1 H -isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors journal December 2015
Discovery of covalent prolyl oligopeptidase boronic ester inhibitors journal January 2020
Discovery, Synthesis, And Structure-Based Optimization of a Series of N -( tert -Butyl)-2-( N -arylamido)-2-(pyridin-3-yl) Acetamides (ML188) as Potent Noncovalent Small Molecule Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) 3CL Protease journal January 2013
Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods journal August 2016
Substituted 2-(Cyanomethyl-amino)-acetamides by a Novel Three-Component Reaction journal January 2004
Liquid-Phase Combinatorial Synthesis of Alicyclic β -Lactams via Ugi Four-Component Reaction journal May 2002
An efficient, catalyst- and solvent-free N -formylation of aromatic and aliphatic amines journal June 2011
Isocyanide 2.0 journal January 2020
An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases journal December 2020
Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding journal November 2013
Rapid measurement of inhibitor binding kinetics by isothermal titration calorimetry journal March 2018
Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors journal April 2021
Challenges for Targeting SARS-CoV-2 Proteases as a Therapeutic Strategy for COVID-19 journal February 2021
Cathepsin L plays a key role in SARS-CoV-2 infection in humans and humanized mice and is a promising target for new drug development journal March 2021
Thermal and high pressure intramolecular Diels–Alder reaction of vinylsulfonamides journal December 2006
Production of Authentic SARS-CoV Mpro with Enhanced Activity: Application as a Novel Tag-cleavage Endopeptidase for Protein Overproduction journal February 2007
Studies on transformation of Escherichia coli with plasmids journal June 1983
Enzymatic activity characterization of SARS coronavirus 3C-like protease by fluorescence resonance energy transfer technique1 journal January 2005
Phaser crystallographic software journal July 2007
Validation and extraction of molecular-geometry information from small-molecule databases journal February 2017
CCP 4 i 2: the new graphical user interface to the CCP 4 program suite journal February 2018
Direct incorporation of experimental phase information in model refinement journal November 2004
Coot model-building tools for molecular graphics journal November 2004

Similar Records

Related Subjects