Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, an

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:
1839732
Journal Information:
J. Med. Chem., Vol. 64, Issue (24)
Country of Publication:
United States
Language:
ENGLISH

References (49)

A new coronavirus associated with human respiratory disease in China journal February 2020
SARS-CoV-2 variants and ending the COVID-19 pandemic journal March 2021
Structural and Functional Analysis of the D614G SARS-CoV-2 Spike Protein Variant journal October 2020
Vaccines and Therapies in Development for SARS-CoV-2 Infections journal June 2020
A human monoclonal antibody blocking SARS-CoV-2 infection journal May 2020
Drug Development and Medicinal Chemistry Efforts toward SARS‐Coronavirus and Covid‐19 Therapeutics journal May 2020
COVID-19: Drug Targets and Potential Treatments journal June 2020
Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2): a global pandemic and treatment strategies journal August 2020
Targeting SARS-CoV-2 Proteases and Polymerase for COVID-19 Treatment: State of the Art and Future Opportunities journal November 2020
The SARS-CoV-2 main protease as drug target journal September 2020
Advances in developing small molecule SARS 3CLpro inhibitors as potential remedy for corona virus infection journal January 2021
Potential of coronavirus 3C-like protease inhibitors for the development of new anti-SARS-CoV-2 drugs: Insights from structures of protease and inhibitors journal August 2020
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors journal April 2020
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors journal March 2020
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease journal April 2020
SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model journal February 2021
Reprint of “On the Size of the Active Site in Proteases. I. Papain” journal August 2012
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV–infected mice journal August 2020
Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element journal April 2018
Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses journal August 2012
Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor journal March 2016
Efficacy of a 3C-like protease inhibitor in treating various forms of acquired feline infectious peritonitis journal May 2017
Positional Analogue Scanning: An Effective Strategy for Multiparameter Optimization in Drug Design journal April 2020
Design and NMR-Based Screening of LEF, a Library of Chemical Fragments with Different Local Environment of Fluorine journal August 2009
Applications of Deuterium in Medicinal Chemistry journal January 2019
Deuterated drugs; updates and obviousness analysis journal September 2017
The Synthesis of Aminoazole Analogs of Lysine and Arginine: The Mitsunobu Reaction with Lysinol and Argininol journal August 1999
Cerium(III) Chloride-Mediated Stereoselective Reduction of a 4-Substituted Cyclohexanone Using NaBH 4 journal December 2019
N,N`-dissuccinimidyl carbonate: a useful reagent for alkoxycarbonylation of amines journal May 1992
A Novel, Nonaqueous Method for Regeneration of Aldehydes from Bisulfite Adducts journal July 1999
Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection journal July 2021
Detecting SARS-CoV-2 3CLpro expression and activity using a polyclonal antiserum and a luciferase-based biosensor journal April 2021
Interleukin-1β expression by a recombinant porcine reproductive and respiratory syndrome virus journal February 2012
Natural-Products-Inspired Use of the gem -Dimethyl Group in Medicinal Chemistry journal August 2017
The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization journal February 2017
Automatic indexing of rotation diffraction patterns journal February 1988
XDS journal January 2010
Data processing and analysis with the autoPROC toolbox journal March 2011
An introduction to data reduction: space-group determination, scaling and intensity statistics journal March 2011
Phaser crystallographic software journal July 2007
PHENIX: a comprehensive Python-based system for macromolecular structure solution journal January 2010
Features and development of Coot journal March 2010
MolProbity : all-atom structure validation for macromolecular crystallography journal December 2009
Developments in the CCP 4 molecular-graphics project journal November 2004
Scaling and assessment of data quality journal December 2005
Improved R-factors for diffraction data analysis in macromolecular crystallography journal April 1997
Global indicators of X-ray data quality journal April 2001
Linking Crystallographic Model and Data Quality journal May 2012
Resolving Some Old Problems in Protein Crystallography journal May 2012