A 3D Multitask Graph Neural Network Framework for Ames Mutagenicity Prediction
Our proposed multitask graph neural network model has a high predictive accuracy for Ames mutagenicity. By operating directly on molecular graph representations instead of traditional molecular descriptors, and predicting strain‐specific results, the model outperforms most existing benchmarks.
Abigail E. Teitgen +3 more
wiley +1 more source
Site‐Specific Protein Bioconjugation Through Cellular Incorporation of Noncanonical Amino Acids
Genetic code expansion (GCE) enables site‐specific installation of noncanonical amino acids containing bioorthogonal conjugation handles, allowing precise, homogeneous protein modification. This review examines the principles of orthogonal translation, surveys the chemistries available for chemoselective labeling, and highlights emerging multi‐site ...
Rahul Sarkar +2 more
wiley +2 more sources
Astrocyte SMN Restoration and Forskolin Treatment Improve SMA Synaptic Pathology
Objective Early phenotypic presentation of central afferent synapse dysfunction within patients with spinal muscular atrophy (SMA) represents a key target for therapeutic development; however, the underlying disease mechanisms remain unresolved. By further investigating motor neuron synapse and peri‐synaptic astrocyte process (PAP) defects in human SMA
Emily Welby +6 more
wiley +1 more source
Intramolecular C-H amination with sulfonyl azides
Cobalt (II) complexes of porphyrins are effective catalysts for intramolecular nitrene insertion of C—H bonds with arylsulfonyl azides. The cobalt-catalyzed process can proceed efficiently under mild and neutral conditions in low catalyst loading without
Ruppel, Joshua V., Zhang, X. Peter
core
A Role for Janus Cyclohexyl Ring Motifs in Medicinal Chemistry. Incorporation Into G-Quadruplex Ligands and Anti-Trypanosoma brucei Activity. [PDF]
Stewart JM +7 more
europepmc +1 more source
Molecular Glue Degraders of TEM β‐Lactamases by Periplasmic Protease DegP
Molecular glues are developed that target TEM‐family β‐lactamases to the bacterial protease DegP for degradation. β‐Lactamase inhibitor tazobactam is identified as accelerating TEM β‐lactamase degradation by DegP, which is further enhanced by linkerless incorporation of dipeptides enriched among DegP substrates.
Emilia K. Taylor +8 more
wiley +2 more sources
Kinetically Stable Boron-Heteroatom Bonds. [PDF]
Trofimova A +8 more
europepmc +1 more source
Cobalt‐Catalyzed C─N Bond Formation via Metal‐Hydride Hydrogen Atom Transfer (MHAT)
Cobalt‐catalyzed metal‐hydride hydrogen atom transfer (Co‐MHAT) converts simple alkenes into C─N bonds under mild, near‐neutral conditions. A shared Co─H‐initiated radical/organocobalt intermediate is channeled into radical trapping, radical‐polar crossover, or radical ligand transfer, unifying hydroamination, hydroazidation, hydroamidation, and remote
Arman Khosravi, Ming‐Yu Ngai
wiley +2 more sources
A sulfinate-azide hybrid reagent for sequential radical fluoroalkylation and click reaction. [PDF]
Halkarni P +11 more
europepmc +1 more source
Multivalent, ligand‐directed molecular beacons enable fluorescence turn‐on detection of cell‐surface receptors in living cells. The probes strongly engage closely spaced membrane receptors and exhibit conformation‐dependent fluorescence enhancement at the cell surface, enabling wash‐free receptor imaging, inhibitor screening, and functional evaluation ...
Noa Oppenheimer‐Low +11 more
wiley +2 more sources

