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

Title: Expedited Approach toward the Rational Design of Noncovalent SARS-CoV-2 Main Protease Inhibitors

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)
Journal Information:
J. Med. Chem., Vol. 65, Issue (4)
Country of Publication:
United States

References (32)

Baricitinib plus Remdesivir for Hospitalized Adults with Covid-19 journal March 2021
COVID-19: Drug Targets and Potential Treatments journal June 2020
The SARS-CoV-2 main protease as drug target journal September 2020
SARS-CoV-2 Mpro inhibitors and activity-based probes for patient-sample imaging journal October 2020
Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics journal May 2020
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease journal June 2020
Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L journal November 2020
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV–infected mice journal August 2020
SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model journal February 2021
Efficacy of a 3C-like protease inhibitor in treating various forms of acquired feline infectious peritonitis journal May 2017
Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor journal March 2016
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
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
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors journal March 2020
Exploring Ugi-Azide Four-Component Reaction Products for Broad-Spectrum Influenza Antivirals with a High Genetic Barrier to Drug Resistance journal March 2018
Cysteine proteases as therapeutic targets: does selectivity matter? A systematic review of calpain and cathepsin inhibitors journal November 2015
Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity? journal July 2019
Challenges for Targeting SARS-CoV-2 Proteases as a Therapeutic Strategy for COVID-19 journal February 2021
Application of Dually Activated Michael Acceptor to the Rational Design of Reversible Covalent Inhibitor for Enterovirus 71 3C Protease journal June 2019
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors journal April 2020
Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode journal April 2021
Ebselen, Disulfiram, Carmofur, PX-12, Tideglusib, and Shikonin Are Nonspecific Promiscuous SARS-CoV-2 Main Protease Inhibitors journal October 2020
Evaluation of SARS-CoV-2 3C-like protease inhibitors using self-assembled monolayer desorption ionization mass spectrometry journal October 2020
Validating Enterovirus D68-2A pro as an Antiviral Drug Target and the Discovery of Telaprevir as a Potent D68-2A pro Inhibitor journal January 2019
Specific Binding of Adamantane Drugs and Direction of Their Polar Amines in the Pore of the Influenza M2 Transmembrane Domain in Lipid Bilayers and Dodecylphosphocholine Micelles Determined by NMR Spectroscopy journal March 2011
Bayesian Deconvolution of Mass and Ion Mobility Spectra: From Binary Interactions to Polydisperse Ensembles journal April 2015
The in vitro antiviral activity of lactoferrin against common human coronaviruses and SARS-CoV-2 is mediated by targeting the heparan sulfate co-receptor journal January 2021
Neutral red uptake assay for the estimation of cell viability/cytotoxicity journal June 2008
Pharmacological Characterization of the Spectrum of Antiviral Activity and Genetic Barrier to Drug Resistance of M2-S31N Channel Blockers journal July 2016
MOLREP an Automated Program for Molecular Replacement journal December 1997
REFMAC 5 for the refinement of macromolecular crystal structures journal March 2011
Coot model-building tools for molecular graphics journal November 2004

Similar Records

Related Subjects