Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV)

Attenuated replication and pathogenicity of SARS-CoV-2 B.1.1.529 Omicron

(2022) Huiping Shuai et al.   NATURE

Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19

(2022) Yuto Unoh et al.   JOURNAL OF MEDICINAL CHEMISTRY

Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine

(2022) Tika R. Malla et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease

(2022) Chamandi S. Dampalla et al.   JOURNAL OF MEDICINAL CHEMISTRY

An orally available Mpro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron

(2022) Bao-Xue Quan et al.   Nature Microbiology

Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure–Activity Relationships, Antiviral Activity, and X-ray Structure Determination

(2022) Thanigaimalai Pillaiyar et al.   JOURNAL OF MEDICINAL CHEMISTRY

A Warhead Substitution Study on the Coronavirus Main Protease Inhibitor Nirmatrelvir

(2022) Subramanyam Vankadara et al.   ACS Medicinal Chemistry Letters

Recent Drug Development and Medicinal Chemistry Approaches for the Treatment of SARS‐CoV‐2 Infection and COVID‐19

(2022) Arun K. Ghosh et al.   ChemMedChem

X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation

(2022) Jaeyong Lee et al.   Nature Communications

Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors

(2022) Shenghua Gao et al.   Journal of Medicinal Chemistry

Dual Inhibitors of Main Protease (MPro) and Cathepsin L as Potent Antivirals against SARS-CoV2

(2022) Santanu Mondal et al.   Journal of the American Chemical Society

Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies

(2022) Chamandi S. Dampalla et al.   ACS Pharmacology & Translational Science

Targeting the Main Protease of SARS‐CoV‐2: From the Establishment of High Throughput Screening to the Design of Tailored Inhibitors

(2021) Julian Breidenbach et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

SARS-CoV-2 Vaccines

(2021) C. Buddy Creech et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

SARS-CoV-2 Vaccines and the Growing Threat of Viral Variants

(2021) John P. Moore et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

SARS-CoV-2 Mpro inhibitors with antiviral activity in a transgenic mouse model

(2021) Jingxin Qiao et al.   SCIENCE

Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2

(2021) Wenhao Dai et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities

(2021) Marco Robello et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2021) Naoya Kitamura et al.   JOURNAL OF MEDICINAL CHEMISTRY

New SARS-CoV-2 Variants — Clinical, Public Health, and Vaccine Implications

(2021) Salim S. Abdool Karim et al.   NEW ENGLAND JOURNAL OF MEDICINE

Generation of SARS-CoV-2 reporter replicon for high-throughput antiviral screening and testing

(2021) Xi He et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CLpro)

(2021) Sang Hoon Han et al.   JOURNAL OF MEDICINAL CHEMISTRY

Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure–Activity Relationship, and X-ray Structural Studies

(2021) Arun K. Ghosh et al.   JOURNAL OF MEDICINAL CHEMISTRY

3CL Protease Inhibitors with an Electrophilic Arylketone Moiety as Anti-SARS-CoV-2 Agents

(2021) Sho Konno et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2021) Bing Bai et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease

(2021) Chamandi S. Dampalla et al.   JOURNAL OF MEDICINAL CHEMISTRY

The biological and clinical significance of emerging SARS-CoV-2 variants

(2021) Kaiming Tao et al.   NATURE REVIEWS GENETICS

Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection

(2021) Chamandi S. Dampalla et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure-guided design of a perampanel-derived pharmacophore targeting the SARS-CoV-2 main protease

(2021) Maya G. Deshmukh et al.   STRUCTURE

Current status of therapeutic monoclonal antibodies against SARS-CoV-2

(2021) Sanjeev Kumar et al.   PLoS Pathogens

Recognition of Divergent Viral Substrates by the SARS-CoV-2 Main Protease

(2021) Elizabeth A. MacDonald et al.   ACS Infectious Diseases

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors

(2021) Sarah Huff et al.   JOURNAL OF MEDICINAL CHEMISTRY

Perspectives on SARS-CoV-2 Main Protease Inhibitors

(2021) Kaifu Gao et al.   JOURNAL OF MEDICINAL CHEMISTRY

Potent Anti-SARS-CoV-2 Activity by the Natural Product Gallinamide A and Analogues via Inhibition of Cathepsin L

(2021) Anneliese S. Ashhurst et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Guided Design of Potent Inhibitors of SARS-CoV-2 3CL Protease: Structural, Biochemical, and Cell-Based Studies

(2021) Chamandi S. Dampalla et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity

(2021) Chunlong Ma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19

(2021) Dafydd R. Owen et al.   SCIENCE

Preclinical characterization of an intravenous coronavirus 3CL protease inhibitor for the potential treatment of COVID19

(2021) Britton Boras et al.   Nature Communications

Time to ‘Mind the Gap’ in novel small molecule drug discovery for direct-acting antivirals for SARS-CoV-2

(2021) Colleen B Jonsson et al.   Current Opinion in Virology

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

(2020) Wenhao Dai et al.   SCIENCE

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

Severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2): a global pandemic and treatment strategies

(2020) Atul Sharma et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

COVID-19: Drug Targets and Potential Treatments

(2020) Carmen Gil et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural plasticity of SARS-CoV-2 3CL Mpro active site cavity revealed by room temperature X-ray crystallography

(2020) Daniel W. Kneller et al.   Nature Communications

Applications of deuterium in medicinal chemistry

(2019) Tracey Pirali et al.   JOURNAL OF MEDICINAL CHEMISTRY

Efficacy of a 3C-like protease inhibitor in treating various forms of acquired feline infectious peritonitis

(2017) Niels C Pedersen et al.   JOURNAL OF FELINE MEDICINE AND SURGERY

Design, Synthesis, and Evaluation of Novel Prodrugs of Transition State Inhibitors of Norovirus 3CL Protease

(2017) Anushka C. Galasiti Kankanamalage et al.   JOURNAL OF MEDICINAL CHEMISTRY

Natural-Products-Inspired Use of the gem-Dimethyl Group in Medicinal Chemistry

(2017) Tanaji T. Talele   JOURNAL OF MEDICINAL CHEMISTRY

Inhibition of norovirus 3CL protease by bisulfite adducts of transition state inhibitors

(2012) Sivakoteswara Rao Mandadapu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Broad-Spectrum Antivirals against 3C or 3C-Like Proteases of Picornaviruses, Noroviruses, and Coronaviruses

(2012) Y. Kim et al.   JOURNAL OF VIROLOGY

Resolving Some Old Problems in Protein Crystallography

(2012) P. Evans   SCIENCE

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Data processing and analysis with theautoPROCtoolbox

(2011) Clemens Vonrhein et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

An introduction to data reduction: space-group determination, scaling and intensity statistics

(2011) Philip R. Evans   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Synthesis and Biological Evaluation of 2-Heteroarylthioalkanoic Acid Analogues of Clofibric Acid as Peroxisome Proliferator-Activated Receptor α Agonists

(2009) Letizia Giampietro et al.   JOURNAL OF MEDICINAL CHEMISTRY