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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9UK80
UPID:
UBP21_HUMAN
Alternative names:
Deubiquitinating enzyme 21; Ubiquitin thioesterase 21; Ubiquitin-specific-processing protease 21
Alternative UPACC:
Q9UK80; Q59H60; Q5BKT5; Q5VTW9; Q5VTX0; Q9BTV1; Q9HBS2; Q9NYN4
Background:
Ubiquitin carboxyl-terminal hydrolase 21, also known as Deubiquitinating enzyme 21, plays a crucial role in histone modification and gene expression regulation. It specifically deubiquitinates histone H2A, facilitating transcriptional activation by enabling histone H3 methylation at Lys-4. Additionally, it stabilizes BAZ2A/TIP5 and removes NEDD8 from conjugates, impacting protein stability and function. This enzyme also serves as a negative regulator of ribosome quality control by deubiquitinating ribosomal proteins, thus modulating protein synthesis.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 21 could open doors to potential therapeutic strategies, particularly in diseases where gene expression regulation and protein stability are compromised.