Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2

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

Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease

(2022) Haozhou Tan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of Cysteine 270 as a Novel Site for Allosteric Modulators of SARS‐CoV‐2 Papain‐Like Protease

(2022) Hangchen Hu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery

(2021) Ziyang Fu et al.   Nature Communications

Screening of drug databank against WT and mutant main protease of SARS-CoV-2: Towards finding potential compound for repurposing against COVID-19

(2021) Tanuj Sharma et al.   SAUDI JOURNAL OF BIOLOGICAL SCIENCES

Clofazimine broadly inhibits coronaviruses including SARS-CoV-2

(2021) Shuofeng Yuan et al.   NATURE

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

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

Transmission event of SARS-CoV-2 delta variant reveals multiple vaccine breakthrough infections

(2021) Timothy Farinholt et al.   BMC Medicine

Omicron SARS-CoV-2 variant: Unique features and their impact on pre-existing antibodies

(2021) Saathvik R. Kannan et al.   JOURNAL OF AUTOIMMUNITY

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

Omicron SARS-CoV-2 variant: a new chapter in the COVID-19 pandemic

(2021) Salim S Abdool Karim et al.   LANCET

Mechanisms of SARS-CoV-2 entry into cells

(2021) Cody B. Jackson et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

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

(2021) Dafydd R. Owen et al.   SCIENCE

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Emerging coronaviruses: Genome structure, replication, and pathogenesis

(2020) Yu Chen et al.   JOURNAL OF MEDICAL VIROLOGY

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

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

(2020) Peng Zhou et al.   NATURE

Cathepsin L-selective inhibitors: A potentially promising treatment for COVID-19 patients

(2020) Tianxiao Liu et al.   PHARMACOLOGY & THERAPEUTICS

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

(2020) Linlin Zhang et al.   SCIENCE

Targeting the Dimerization of the Main Protease of Coronaviruses: A Potential Broad-Spectrum Therapeutic Strategy

(2020) Bhupesh Goyal et al.   ACS Combinatorial 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

Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease

(2020) Chunlong Ma et al.   CELL RESEARCH

Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity

(2020) Donghyuk Shin et al.   NATURE

Toxicological evaluation of, red rice yeast extract, Xuezhikang: Acute, 26-week chronic and genotoxicity studies

(2020) Yonglin Gao et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Approaches to mitigate the risk of serious adverse reactions in covalent drug design

(2020) Thomas A. Baillie   Expert Opinion on Drug Discovery

Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design

(2020) Wioletta Rut et al.   Science Advances

Papain-Like Proteases as Coronaviral Drug Targets: Current Inhibitors, Opportunities, and Limitations

(2020) Anastasiia I. Petushkova et al.   Pharmaceuticals

Potential SARS-CoV-2 main protease inhibitors

(2020) Riddhidev Banerjee et al.   DRUG DISCOVERY TODAY

Relative Selectivity of Covalent Inhibitors Requires Assessment of Inactivation Kinetics and Cellular Occupancy: A Case Study of Ibrutinib and Acalabrutinib

(2019) Melissa Hopper et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

DrugBank 5.0: a major update to the DrugBank database for 2018

(2017) David S Wishart et al.   NUCLEIC ACIDS RESEARCH

A Perspective on the Kinetics of Covalent and Irreversible Inhibition

(2016) John M. Strelow   SLAS Discovery

Covalent inhibitors in drug discovery: from accidental discoveries to avoided liabilities and designed therapies

(2015) Renato A. Bauer   DRUG DISCOVERY TODAY

Developing Irreversible Inhibitors of the Protein Kinase Cysteinome

(2013) Qingsong Liu et al.   CHEMISTRY & BIOLOGY

Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: Design, synthesis, biological evaluation, and docking studies

(2013) Pillaiyar Thanigaimalai et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Discovery of Novel STAT3 Small Molecule Inhibitors via in Silico Site-Directed Fragment-Based Drug Design

(2013) Wenying Yu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Covalent EGFR inhibitor analysis reveals importance of reversible interactions to potency and mechanisms of drug resistance

(2013) P. A. Schwartz et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Overview of theCCP4 suite and current developments

(2011) Martyn D. Winn et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

The resurgence of covalent drugs

(2011) Juswinder Singh et al.   NATURE REVIEWS DRUG DISCOVERY

Drug and Drug Candidate Building Block Analysis

(2009) Junmei Wang et al.   Journal of Chemical Information and Modeling