Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors

Challenges for Targeting SARS-CoV-2 Proteases as a Therapeutic Strategy for COVID-19

(2021) Kas Steuten et al.   ACS Infectious Diseases

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

(2021) Chun-Hui Zhang et al.   ACS Central Science

The effectiveness of the TWO-DOSE BNT162b2 vaccine: analysis of real-world data

(2021) Gabriel Chodick et al.   CLINICAL INFECTIOUS DISEASES

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

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

Estimating COVID-19 mortality in Italy early in the COVID-19 pandemic

(2021) Chirag Modi et al.   Nature Communications

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

Six months of COVID vaccines: what 1.7 billion doses have taught scientists

(2021) Heidi Ledford   NATURE

Improved SARS-CoV-2 Mpro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies

(2021) Wayne Vuong et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment

(2020) Linlin Zhang et al.   JOURNAL OF MEDICINAL CHEMISTRY

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

Temporal estimates of case-fatality rate for COVID-19 outbreaks in Canada and the United States

(2020) Elaheh Abdollahi et al.   CANADIAN MEDICAL ASSOCIATION JOURNAL

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

(2020) Zhenming Jin et al.   NATURE

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

(2020) Linlin Zhang et al.   SCIENCE

Research and Development on Therapeutic Agents and Vaccines for COVID-19 and Related Human Coronavirus Diseases

(2020) Cynthia Liu et al.   ACS Central Science

Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients

(2020) Hai-xia Su et al.   ACTA PHARMACOLOGICA SINICA

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

Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19

(2020) Robert L. Hoffman et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease

(2020) Athri D. Rathnayake et al.   JOURNAL OF MEDICINAL CHEMISTRY

Malleability of the SARS-CoV-2 3CL Mpro active site cavity facilitates binding of clinical antivirals

(2020) Daniel W. Kneller et al.   STRUCTURE

Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication

(2020) Wayne Vuong et al.   Nature Communications

An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases

(2020) László Petri et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Discovery of covalent prolyl oligopeptidase boronic ester inhibitors

(2019) Jessica Plescia et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Rapid measurement of inhibitor binding kinetics by isothermal titration calorimetry

(2018) Justin M. Di Trani et al.   Nature Communications

CCP4i2: the new graphical user interface to the CCP4 program suite

(2018) Liz Potterton et al.   Acta Crystallographica Section D-Structural Biology

Covalent inhibitors design and discovery

(2017) Stephane De Cesco et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Validation and extraction of molecular-geometry information from small-molecule databases

(2017) Fei Long et al.   Acta Crystallographica Section D-Structural Biology

Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods

(2016) Nicolas Moitessier et al.   ACCOUNTS OF CHEMICAL RESEARCH

An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy

(2016) Thanigaimalai Pillaiyar et al.   JOURNAL OF MEDICINAL CHEMISTRY

COVALENT DRUGS FORM LONG-LIVED TIES

(2016) LILA GUTERMAN   CHEMICAL & ENGINEERING NEWS

3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors

(2015) Gaëlle Mariaule et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

(2013) Mark Turlington et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

(2012) Jon Jacobs et al.   JOURNAL OF MEDICINAL CHEMISTRY

An efficient, catalyst- and solvent-freeN-formylation of aromatic and aliphatic amines

(2011) Kishor P. Dhake et al.   Green Chemistry Letters and Reviews

Design, synthesis, and evaluation of 3C protease inhibitors as anti-enterovirus 71 agents

(2008) Chih-Jung Kuo et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Aryl methylene ketones and fluorinated methylene ketones as reversible inhibitors for severe acute respiratory syndrome (SARS) 3C-like proteinase

(2008) Jianmin Zhang et al.   BIOORGANIC CHEMISTRY

A review of studies on animal reservoirs of the SARS coronavirus

(2007) Zhengli Shi et al.   VIRUS RESEARCH