Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P62068
UPID:
UBP46_HUMAN
Alternative names:
Deubiquitinating enzyme 46; Ubiquitin thioesterase 46; Ubiquitin-specific-processing protease 46
Alternative UPACC:
P62068; B7Z3Y7; B7Z675; B7Z7S3; G8ACC7; Q80V95; Q9H7U4; Q9H9T8
Background:
Ubiquitin carboxyl-terminal hydrolase 46, known alternatively as Deubiquitinating enzyme 46, Ubiquitin thioesterase 46, and Ubiquitin-specific-processing protease 46, plays a pivotal role in neural behavior. It regulates GABA action through the deubiquitination of GAD1/GAD67, enhancing its activity in partnership with WDR48. Its specificity excludes monoubiquitinated FANCD2 deubiquitination.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 46 could open doors to potential therapeutic strategies, especially in neurological disorders where GABA signaling is implicated.