Simon Jaag
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View article: Design, Synthesis, and Molecular Evaluation of S<sub>N</sub>Ar‐Reactive <i>N</i>‐(6‐Fluoro‐3‐Nitropyridin‐2‐yl)Isoquinolin‐3‐Amines as Covalent USP7 Inhibitors Reveals an Unconventional Binding Mode
Design, Synthesis, and Molecular Evaluation of S<sub>N</sub>Ar‐Reactive <i>N</i>‐(6‐Fluoro‐3‐Nitropyridin‐2‐yl)Isoquinolin‐3‐Amines as Covalent USP7 Inhibitors Reveals an Unconventional Binding Mode Open
The cysteine protease ubiquitin‐specific protease 7 (USP7), also known as herpes‐associated ubiquitin‐specific protease (HAUSP), has gained increasing attention in recent years due to its proven overexpression in several cancer types and i…
View article: SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes
SNAr Reactive Pyrazine Derivatives as p53-Y220C Cleft Binders with Diverse Binding Modes Open
The promising pyrazine derivatives SN006/7-3, SN006/7-8, and SN006/7-9 were identified, occupying different subsites of the Y220C binding pocket. The compound SN006/7-8 substantially stabilized the thermosensitive cancer mutant Y220C by up…
View article: Screening of Covalent Kinase Inhibitors Yields Hits for Cysteine Protease USP7 / HAUSP
Screening of Covalent Kinase Inhibitors Yields Hits for Cysteine Protease USP7 / HAUSP Open
The screening and evaluation of the kinase library revealed several initial hits of interest. Seven SNAr warheads and one acrylamide warhead compound covalently modified the target protein (USP7) and showed clear shifts in the melting temp…
View article: Covalent Fragments Acting as Tyrosine Mimics for Mutant p53-Y220C Rescue by Nucleophilic Aromatic Substitution
Covalent Fragments Acting as Tyrosine Mimics for Mutant p53-Y220C Rescue by Nucleophilic Aromatic Substitution Open
The tumor suppressor p53 is frequently mutated in human cancers. The Y220C mutant is the ninth most common p53 cancer mutant and is classified as a structural mutant, as it leads to strong thermal destabilization and degradation by creatin…
View article: Evaluation of a Covalent Library of Diverse Warheads (CovLib) Binding to JNK3, USP7, or p53
Evaluation of a Covalent Library of Diverse Warheads (CovLib) Binding to JNK3, USP7, or p53 Open
The screening and target evaluation of the CovLib revealed first interesting hits. The highly cysteine-reactive fragments VS004, SN001, SN006, and SN007 covalently modify several target proteins and showed distinct shifts in the melting te…
View article: Three-Minute Enantioselective Amino Acid Analysis by Ultra-High-Performance Liquid Chromatography Drift Tube Ion Mobility-Mass Spectrometry Using a Chiral Core–Shell Tandem Column Approach
Three-Minute Enantioselective Amino Acid Analysis by Ultra-High-Performance Liquid Chromatography Drift Tube Ion Mobility-Mass Spectrometry Using a Chiral Core–Shell Tandem Column Approach Open
Fast liquid chromatography (LC) amino acid enantiomer separation of 6-aminoquinolyl-N-hydroxysuccinimidyl carbamate (AQC) derivatives using a chiral core-shell particle tandem column with weak anion exchange and zwitterionic-type quinine c…
View article: Commensal production of a broad-spectrum and short-lived antimicrobial peptide polyene eliminates nasal Staphylococcus aureus
Commensal production of a broad-spectrum and short-lived antimicrobial peptide polyene eliminates nasal Staphylococcus aureus Open
Antagonistic bacterial interactions often rely on antimicrobial bacteriocins, which attack only a narrow range of target bacteria. However, antimicrobials with broader activity may be advantageous. Here we identify an antimicrobial called …
View article: Evaluation of Kinetic Performance of Reversed-Phase Columns for Protein Separations by Gradient Kinetic Plots
Evaluation of Kinetic Performance of Reversed-Phase Columns for Protein Separations by Gradient Kinetic Plots Open
The increasing importance of protein biopharmaceuticals has triggered the development of new, highly efficient stationary phases for reversed-phase liquid chromatography (LC) of proteins. They typically have C4 ligands or phenyl surfaces f…
View article: Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C
Revisiting a challenging p53 binding site: a diversity-optimized HEFLib reveals diverse binding modes in T-p53C-Y220C Open
Fragment screening of the challenging drug target T-p53-Y220C with our diversity optimized HEFLib leads to diverse reversible and covalent binding modes.