Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q70CQ1
UPID:
UBP49_HUMAN
Alternative names:
Deubiquitinating enzyme 49; Ubiquitin thioesterase 49; Ubiquitin-specific-processing protease 49
Alternative UPACC:
Q70CQ1; Q5T3D9; Q5T3E0; Q96CK4
Background:
Ubiquitin carboxyl-terminal hydrolase 49, also known as Deubiquitinating enzyme 49, plays a pivotal role in cellular processes by specifically deubiquitinating histone H2B at 'Lys-120'. This action is crucial for epigenetic transcriptional activation and regulates mRNA splicing, highlighting its significance in gene expression and cellular function.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 49 could open doors to potential therapeutic strategies. Its unique function in epigenetic regulation and mRNA splicing presents an intriguing target for drug discovery, aiming to modulate gene expression in diseases.