Molecular Glue-Design-Evaluator (MOLDE): An Advanced Method for In-Silico Molecular Glue Design [PDF]
ACS OmegaAbstract Protein function modulation using small molecule binding is an important therapeutic strategy for many diseases. However, many proteins remain undruggable due to lack of suitable binding pockets for small molecule binding. Proximity induced protein degradation using molecular glues has recently been identified as an important ...
A. S. Ben Geoffrey +3 more
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Molecular glue degrader for tumor treatment [PDF]
Frontiers in OncologyTargeted Protein Degradation (TPD) represented by Proteolysis-Targeting Chimeras (PROTAC) is the frontier field in the research and development of antitumor therapy, in which oral drug HP518 Receives FDA Proceed Authorization for its IND Application for ...
Yuhan Hu +4 more
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Halofuginone is a Molecular Glue Degrader of Integrin β4 [PDF]
Advanced ScienceIntegrin β4 (gene name: ITGB4) overexpression is associated with aggressive phenotypes and poor prognosis across multiple solid tumors. Despite its clinical significance, therapeutic strategies targeting integrin β4 remain underdeveloped.
Wei Gong +8 more
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A scalable, high-throughput glue perturbation screening platform for molecular glue discovery [PDF]
iScienceSummary: The discovery of molecular glue degraders (MGDs) is undergoing a paradigm shift from serendipitous discovery toward empirical design. However, efficiently prioritizing active leads from synthetic libraries while simultaneously confirming their ...
Diyun Huang +10 more
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Correction to “Molecular Glue-Design-Evaluator (MOLDE): An Advanced Method for In-Silico Molecular Glue Design” [PDF]
ACS OmegaA. S. Ben Geoffrey +3 more
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Hydrogen‐Deuterium Exchange Mass Spectrometry for Molecular Glue Characterization [PDF]
Advanced ScienceMolecular glues are powerful bioactive molecules that stabilize protein–protein interactions. Yet, the precise mechanisms by which many molecular glues exert their adhesive effects are still not well understood. Native mass spectrometry is an established
Danielle F. Kay +3 more
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Induced ubiquitination of the partially disordered estrogen receptor alpha via a 14-3-3 directed molecular glue-PROTAC [PDF]
Nature CommunicationsProteins lacking defined ligandable pockets remain challenging drug targets. Here, we develop a molecular glue-based PROTAC (MGPROTAC) approach that chemically conjugates a molecular glue stabilizer to a VHL-recruiting ligand to capture and ubiquitinate ...
Carlo J. A. Verhoef +12 more
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A Reactive Antagonist Strategy: Cysteine‐Directed Covalent Molecular Glue in Plant Hormone Receptor Regulation [PDF]
Advanced ScienceControlling protein–protein interactions (PPIs) remains a challenge in modern chemistry. In plants, jasmonoyl‐L‐isoleucine (JA‐Ile) acts as a molecular glue that facilitates PPIs between the F‐box protein COI1 and JAZ repressors, leading to ...
Minoru Ueda +10 more
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Activation of parkin by a molecular glue
Nature CommunicationsMutations in parkin and PINK1 cause early-onset Parkinson’s disease (EOPD). The ubiquitin ligase parkin is recruited to damaged mitochondria and activated by PINK1, a kinase that phosphorylates ubiquitin and the ubiquitin-like domain of parkin. Activated
Véronique Sauvé +14 more
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A molecular glue for PRKN/parkin. [PDF]
AutophagyParkinson disease (PD) is a neurodegenerative disease characterized by the loss of dopaminergic neurons in the substantia nigra, primarily due to mitochondria dysfunction. PRKN (parkin RBR E3 ubiquitin protein ligase) and PINK1 (PTEN induced kinase 1) are linked to early-onset cases of PD and essential for the clearance of damaged mitochondria via ...
Sauvé V, Gehring K.
europepmc +3 more sources