Drug discovery for a new generation of covalent drugs

A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors

(2012) Kevin X. Chen et al.   JOURNAL OF MEDICINAL CHEMISTRY

Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles

(2012) Iana M Serafimova et al.   Nature Chemical Biology

The effect of dacomitinib (PF-00299804) on CYP2D6 activity in healthy volunteers who are extensive or intermediate metabolizers

(2011) Carlo L. Bello et al.   CANCER CHEMOTHERAPY AND PHARMACOLOGY

Intrinsic Electrophilicity of a 4-Substituted-5-cyano-6-(2-methylpyridin-3-yloxy)pyrimidine Derivative: Structural Characterization of Glutathione Conjugates in Vitro

(2011) Amit S. Kalgutkar et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Application of the Hard and Soft, Acids and Bases (HSAB) Theory to Toxicant–Target Interactions

(2011) Richard M. LoPachin et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States

(2011) Antonia F. Stepan et al.   CHEMICAL RESEARCH IN TOXICOLOGY

The resurgence of covalent drugs

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

Intrinsic electrophilicity of the 4-methylsulfonyl-2-pyridone scaffold in glucokinase activators: Role of glutathione-S-transferases and in vivo quantitation of a glutathione conjugate in rats

(2010) John Litchfield et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Prediction of Michael-Type Acceptor Reactivity toward Glutathione

(2010) Johannes A. H. Schwöbel et al.   CHEMICAL RESEARCH IN TOXICOLOGY

The Tunable Functionality of α,β-Unsaturated Carbonyl Compounds Enables Their Differential Application in Biological Systems

(2010) Sabine Amslinger   ChemMedChem

Targeted covalent drugs of the kinase family

(2010) Juswinder Singh et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Development of Nitrile-Based Peptidic Inhibitors of Cysteine Cathepsins

(2010) Maxim Frizler et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Characterization of HKI-272 Covalent Binding to Human Serum Albumin

(2010) J. Wang et al.   DRUG METABOLISM AND DISPOSITION

Strategies for discovering and derisking covalent, irreversible enzyme inhibitors

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

Nitrile-Containing Pharmaceuticals: Efficacious Roles of the Nitrile Pharmacophore

(2010) Fraser F. Fleming et al.   JOURNAL OF MEDICINAL CHEMISTRY

Structural Optimization of Azadipeptide Nitriles Strongly Increases Association Rates and Allows the Development of Selective Cathepsin Inhibitors

(2010) Maxim Frizler et al.   JOURNAL OF MEDICINAL CHEMISTRY

Efficacy of boceprevir, an NS3 protease inhibitor, in combination with peginterferon alfa-2b and ribavirin in treatment-naive patients with genotype 1 hepatitis C infection (SPRINT-1): an open-label, randomised, multicentre phase 2 trial

(2010) Paul Y Kwo et al.   LANCET

Mechanism-Based Inactivation of Cytochrome P450 3A4 by Lapatinib

(2010) W. C. Teng et al.   MOLECULAR PHARMACOLOGY

Quantitative reactivity profiling predicts functional cysteines in proteomes

(2010) Eranthie Weerapana et al.   NATURE

Pharmacogenetics of drug hypersensitivity

(2010) Elizabeth J Phillips et al.   PHARMACOGENOMICS

Examination of Michael addition reactivity towards glutathione by transition-state calculations

(2010) J.A.H. Schwöbel et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Click Chemistry and Bioorthogonal Reactions: Unprecedented Selectivity in the Labeling of Biological Molecules

(2009) Michael D. Best   BIOCHEMISTRY

A simple in vitro assay for assessing the reactivity of nitrile containing compounds

(2009) Philip A. MacFaul et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Benzothiophene piperazine and piperidine urea inhibitors of fatty acid amide hydrolase (FAAH)

(2009) Douglas S. Johnson et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Metabolic Oxidative Cleavage of Thioesters: Evidence for the Formation of Sulfenic Acid Intermediates in the Bioactivation of the Antithrombotic Prodrugs Ticlopidine and Clopidogrel

(2009) Patrick M. Dansette et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Discovery and Characterization of a Highly Selective FAAH Inhibitor that Reduces Inflammatory Pain

(2009) Kay Ahn et al.   CHEMISTRY & BIOLOGY

Saxagliptin

(2009) Sohita Dhillon et al.   DRUGS

Metabolism and Disposition of the Thienopyridine Antiplatelet Drugs Ticlopidine, Clopidogrel, and Prasugrel in Humans

(2009) Nagy A. Farid et al.   JOURNAL OF CLINICAL PHARMACOLOGY

Covalent Modifiers: An Orthogonal Approach to Drug Design

(2009) Michele H. Potashman et al.   JOURNAL OF MEDICINAL CHEMISTRY

Activity-Based Protein Profiling: From Enzyme Chemistry to Proteomic Chemistry

(2008) Benjamin F. Cravatt et al.   Annual Review of Biochemistry

The discovery of odanacatib (MK-0822), a selective inhibitor of cathepsin K

(2008) Jacques Yves Gauthier et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Chemical Reactivity of Methoxy 4-O-Aryl Quinolines: Identification of Glutathione Displacement Products in Vitro and in Vivo

(2008) Yohannes Teffera et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Immune-Mediated Adverse Drug Reactions

(2008) Jack Uetrecht   CHEMICAL RESEARCH IN TOXICOLOGY

Structure-activity relationships for hepatocyte toxicity and electrophilic reactivity ofα,β-unsaturated esters, acrylates and methacrylates

(2008) Katie Chan et al.   JOURNAL OF APPLIED TOXICOLOGY

Antitumor activity and pharmacokinetic properties of PF-00299804, a second-generation irreversible pan-erbB receptor tyrosine kinase inhibitor

(2008) A. J. Gonzales et al.   MOLECULAR CANCER THERAPEUTICS

Structure-guided inhibitor design for human FAAH by interspecies active site conversion

(2008) M. Mileni et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation

(2008) William J. Metzler et al.   PROTEIN SCIENCE

Cutaneous Lesions in the Rat Following Administration of an Irreversible Inhibitor of erbB Receptors, Including the Epidermal Growth Factor Receptor

(2008) Alan P. Brown et al.   TOXICOLOGIC PATHOLOGY

Structure–activity relationships for thiol reactivity and rat or human hepatocyte toxicity induced by substitutedp‐benzoquinone compounds

(2007) Katie Chan et al.   JOURNAL OF APPLIED TOXICOLOGY