Electrophilic warheads in covalent drug discovery: an overview

Reimagining high-throughput profiling of reactive cysteines for cell-based screening of large electrophile libraries

(2021) Miljan Kuljanin et al.   NATURE BIOTECHNOLOGY

A proteome-wide atlas of lysine-reactive chemistry

(2021) Mikail E. Abbasov et al.   Nature Chemistry

Mechanism-Based and Computational-Driven Covalent Drug Design

(2021) Yun Lyna Luo   Journal of Chemical Information and Modeling

CovPDB: a high-resolution coverage of the covalent protein–ligand interactome

(2021) Mingjie Gao et al.   NUCLEIC ACIDS RESEARCH

A chemical probe based on the PreQ1 metabolite enables transcriptome-wide mapping of binding sites

(2021) Sumirtha Balaratnam et al.   Nature Communications

Systematic identification of engineered methionines and oxaziridines for efficient, stable, and site-specific antibody bioconjugation

(2020) Susanna K. Elledge et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

2H-Azirine-Based Reagents for Chemoselective Bioconjugation at Carboxyl Residues Inside Live Cells

(2020) Nan Ma et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Selective Modification of Tryptophan Residues in Peptides and Proteins Using a Biomimetic Electron Transfer Process

(2020) Samantha J. Tower et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oncogenic KrasG12D causes myeloproliferation via NLRP3 inflammasome activation

(2020) Shaima’a Hamarsheh et al.   Nature Communications

Light-Activatable, 2,5-Disubstituted Tetrazoles for the Proteome-wide Profiling of Aspartates and Glutamates in Living Bacteria

(2020) Kathrin Bach et al.   ACS Central Science

Assessment of tractable cysteines by covalent fragments screening

(2020) László Petri et al.   CHEMBIOCHEM

CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitors

(2020) Hongyan Du et al.   NUCLEIC ACIDS RESEARCH

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

10 years into the resurgence of covalent drugs

(2020) Elena De Vita   Future Medicinal Chemistry

Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations

(2020) Levente M. Mihalovits et al.   Journal of Chemical Information and Modeling

Characterising covalent warhead reactivity

(2019) James S. Martin et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Histidine-Specific Peptide Modification via Visible-Light-Promoted C–H Alkylation

(2019) Xiaoping Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Global targeting of functional tyrosines using sulfur-triazole exchange chemistry

(2019) Heung Sik Hahm et al.   Nature Chemical Biology

Cysteine-reactive probes and their use in chemical proteomics

(2018) Dominic G. Hoch et al.   CHEMICAL COMMUNICATIONS

Progress with covalent small-molecule kinase inhibitors

(2018) Zheng Zhao et al.   DRUG DISCOVERY TODAY

Comparative Evaluation of Covalent Docking Tools

(2018) Andrea Scarpino et al.   Journal of Chemical Information and Modeling

Kinase inhibitors: the road ahead

(2018) Fleur M. Ferguson et al.   NATURE REVIEWS DRUG DISCOVERY

Versatile Bioconjugation Chemistries of ortho-Boronyl Aryl Ketones and Aldehydes

(2018) Samantha Cambray et al.   ACCOUNTS OF CHEMICAL RESEARCH

A road map for prioritizing warheads for cysteine targeting covalent inhibitors

(2018) Péter Ábrányi-Balogh et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Emerging and Re-Emerging Warheads for Targeted Covalent Inhibitors: Applications in Medicinal Chemistry and Chemical Biology

(2018) Matthias Gehringer et al.   JOURNAL OF MEDICINAL CHEMISTRY

A Chemoproteomic Strategy for Direct and Proteome-Wide Covalent Inhibitor Target-Site Identification

(2018) Christopher M. Browne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A protein functionalization platform based on selective reactions at methionine residues

(2018) Michael T. Taylor et al.   NATURE

Expanding the Armory: Predicting and Tuning Covalent Warhead Reactivity

(2017) Richard Lonsdale et al.   Journal of Chemical Information and Modeling

A study of the reactivity of S(VI)–F containing warheads with nucleophilic amino-acid side chains under physiological conditions

(2017) H. Mukherjee et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Redox-based reagents for chemoselective methionine bioconjugation

(2017) Shixian Lin et al.   SCIENCE

1,2-Benzisoselenazol-3(2H)-one Derivatives As a New Class of Bacterial Urease Inhibitors

(2016) Katarzyna Macegoniuk et al.   JOURNAL OF MEDICINAL CHEMISTRY

Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins

(2016) Yohei Seki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Proteome-wide covalent ligand discovery in native biological systems

(2016) Keriann M. Backus et al.   NATURE

Photoaffinity labeling in target- and binding-site identification

(2015) Ewan Smith et al.   Future Medicinal Chemistry

Comparison of the Reactivity of Carbohydrate Photoaffinity Probes with Different Photoreactive Groups

(2014) Kaori Sakurai et al.   CHEMBIOCHEM

Ibrutinib: a first in class covalent inhibitor of Bruton's tyrosine kinase

(2014) Matthew S Davids et al.   Future Oncology

pH-dependent random coil 1H, 13C, and 15N chemical shifts of the ionizable amino acids: a guide for protein pK a measurements

(2014) Gerald Platzer et al.   JOURNAL OF BIOMOLECULAR NMR

Chemical and Computational Methods for the Characterization of Covalent Reactive Groups for the Prospective Design of Irreversible Inhibitors

(2014) Mark E. Flanagan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors

(2014) Li Tan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Determination of acidity and nucleophilicity in thiols by reaction with monobromobimane and fluorescence detection

(2013) Florencia Sardi et al.   ANALYTICAL BIOCHEMISTRY

Uncovering the Determinants of a Highly Perturbed Tyrosine pKa in the Active Site of Ketosteroid Isomerase

(2013) Jason P. Schwans et al.   BIOCHEMISTRY

Specificity of Intersubunit General Anesthetic-binding Sites in the Transmembrane Domain of the Human α1β3γ2 γ-Aminobutyric Acid Type A (GABAA) Receptor

(2013) David C. Chiara et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Electrophilic Fragment-Based Design of Reversible Covalent Kinase Inhibitors

(2013) Rand M. Miller et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cell-Based Proteome Profiling of Potential Dasatinib Targets by Use of Affinity-Based Probes

(2012) Haibin Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Metabolic Serine Hydrolases and Their Functions in Mammalian Physiology and Disease

(2011) Jonathan Z. Long et al.   CHEMICAL REVIEWS

Multiple Transmembrane Binding Sites forp-Trifluoromethyldiazirinyl-etomidate, a PhotoreactiveTorpedoNicotinic Acetylcholine Receptor Allosteric Inhibitor

(2011) Ayman K. Hamouda et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Large shifts in pKa values of lysine residues buried inside a protein

(2011) D. G. Isom et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Strategies for discovering and derisking covalent, irreversible enzyme inhibitors

(2010) Douglas S Johnson et al.   Future Medicinal Chemistry

The roles of drug metabolism in the pathogenesis of T-cell-mediated drug hypersensitivity

(2009) Sidonie Nelly Lavergne et al.   Current Opinion in Allergy and Clinical Immunology

A Zone Classification System for Risk Assessment of Idiosyncratic Drug Toxicity Using Daily Dose and Covalent Binding

(2009) S. Nakayama et al.   DRUG METABOLISM AND DISPOSITION

Designing transient binding drugs: A new concept for drug discovery

(2008) Sten Ohlson   DRUG DISCOVERY TODAY

Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins

(2008) Adam J. T. Smith et al.   JOURNAL OF MEDICINAL CHEMISTRY

The p-i Concept

(2008) Werner J. Pichler   World Allergy Organization Journal

Idiosyncratic Drug Reactions: Past, Present, and Future

(2007) Jack Uetrecht   CHEMICAL RESEARCH IN TOXICOLOGY