Covalent fragment approaches targeting non-cysteine residues.
Trends in Pharmacological Sciences, 2023 Covalent fragment approaches combine advantages of covalent binders and fragment-based drug discovery (FBDD) for target identification and validation. Although early applications focused mostly on cysteine labeling, the chemistries of available warheads ...
Noémi Csorba +2 more
semanticscholar +3 more sources
Application of a MALDI mass spectrometry assay to identify covalent fragments targeting the methyl-lysine reader protein MPP8 [PDF]
SLAS DiscoveryIn recent decades, the development of targeted covalent inhibitors (TCIs) has significantly advanced, as evidenced by the increasing number of FDA approved drugs with covalent mechanisms of action.
Juanita L. Sanchez Rubiano +7 more
doaj +2 more sources
Covalent fragment libraries in drug discovery.
Drug Discovery Today, 2020 Targeted covalent inhibitors and chemical probes have become integral parts of drug discovery approaches. Given the advantages of fragment-based drug discovery, screening electrophilic fragments emerged as a promising alternative to discover and validate
Aaron Keeley +3 more
semanticscholar +3 more sources
Dual donor-acceptor covalent organic frameworks for hydrogen peroxide photosynthesis
Nature Communications, 2023 Constructing photocatalytically active and stable covalent organic frameworks containing both oxidative and reductive reaction centers remain a challenge.
Chencheng Qin +12 more
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Increase of enzyme activity through specific covalent modification with fragments [PDF]
Chem. Sci., 2017 Structure-guided tethering of a fragment activator significantly increases enzyme activity.
J. F. Darby +6 more
semanticscholar +5 more sources
Next-Generation Heterocyclic Electrophiles as Small-Molecule Covalent MurA Inhibitors
Pharmaceuticals, 2022 Heterocyclic electrophiles as small covalent fragments showed promising inhibitory activity on the antibacterial target MurA (UDP-N-acetylglucosamine 1-carboxyvinyltransferase, EC:2.5.1.7).
Péter Ábrányi-Balogh +10 more
doaj +2 more sources
Quantitative Irreversible Tethering (qIT) for Target-directed Covalent Fragment Screening
Bio-Protocol, 2020 Small molecules that react to form covalent bonds with proteins are widely used as biological tools and therapeutic agents. Screening cysteine-reactive fragments against a protein target is an efficient way to identify chemical starting points for ...
Gregory Craven +2 more
doaj +4 more sources
Characterization of the Second-Generation Covalent Fragment Library (CovLib Gen2): Thiol Reactivity Profiling and p53-Y220C Rescue [PDF]
Drug Design, Development and TherapyMartin Schwer,1 Sven R Aldea,1 Marc U Engelhardt,1 Jason Stahlecker,1 Janosch Rheinganz,1 Aaron Langkamp,1 Frank M Boeckler1,2 1Department of Pharmacy and Biochemistry, Laboratory for Molecular Design & Pharmaceutical Biophysics, Eberhard Karls ...
Schwer M +6 more
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Evaluation of a Covalent Library of Diverse Warheads (CovLib) Binding to JNK3, USP7, or p53
Drug Design, Development and TherapyTheresa Klett,1,* Martin Schwer,1,* Larissa N Ernst,1,* Marc U Engelhardt,1 Simon J Jaag,2 Benedikt Masberg,2 Cornelius Knappe,2 Michael Lämmerhofer,2 Matthias Gehringer,3,4 Frank M Boeckler1,5 1Laboratory for Molecular Design ...
Klett T +9 more
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Improved Detection of Domoic Acid Using Covalently Immobilised Antibody Fragments [PDF]
Marine Drugs, 2013 Antibody molecules, and antibody fragments in particular, have enormous potential in the development of biosensors for marine monitoring. Conventional immobilisation approaches used in immunoassays typically yield unstable and mostly incorrectly oriented
J. Gerard Wall, María J. Hortigüela
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