TL;DR
A computational virtual-screening workflow informed by deep learning-based interface analysis is developed, supporting a computationally plausible rather than unique Cmpd16 orientation in the HIF-1α/VHL protein-protein interaction.
HFS764 disrupts the HIF-1α–p300 interface and suppresses hypoxia-driven signaling in ccRCC, supporting the use of transcriptional complex inhibition as a promising therapeutic strategy.
I1Hit1 and I2Hit1 are highlighted as novel therapeutic compounds with efficient IDH-target inhibition to address epigenetic modification in GBM, and further experimental validation of these compounds is required to demonstrate potential inhibitors of IDH-driven metabolism in GBM.
This work describes the design, synthesis, and biological evaluation of a series of JNK1-targeting PROTACs that recruit either CRBN or VHL E3 ligases that demonstrates excellent degradation potency and selectivity for JNK1, highlighting its potential as a valuable chemical probe for EMT-associated pathologies.
The von Hippel-Lindau (VHL) gene encodes the core substrate-recognition subunit of the Cullin2-RING E3 ubiquitin ligase complex, regulating cellular oxygen sensing and proteostasis. While targeting the canonical VHL-hypoxia-inducible factor (HIF) axis (e.g. belzutifan) has improved advanced clear cell renal cell carcin...
5-aminolevulinic acid (5-ALA) promotes fluorescence-based resection of glioblastoma via protoporphyrin IX (PpIX); however, there is considerable heterogeneity in fluorescence intensity, limiting margin distinction. Cell-line studies show that stimulation of the MAPK pathway results in decreased PpIX levels through incr...
A scalable, machine-learning-integrated virtual screening framework designed to explore ultra-large chemical space spanning an input search space of approximately 884 million compounds from ZINC20 and 199,854 purchasable compounds from the SPECS database is reported.
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