Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q92995
UPID:
UBP13_HUMAN
Alternative names:
Deubiquitinating enzyme 13; Isopeptidase T-3; Ubiquitin thioesterase 13; Ubiquitin-specific-processing protease 13
Alternative UPACC:
Q92995; A8K2S3; B4DYF3; D3DNS2; Q96B25
Background:
Ubiquitin carboxyl-terminal hydrolase 13, also known as Deubiquitinating enzyme 13, plays a pivotal role in various cellular processes including autophagy, cell cycle progression, and DNA damage response. It achieves this by mediating the deubiquitination of several key proteins such as BECN1, MITF, and SKP2. This enzyme is a crucial component of the regulatory loop controlling autophagy and p53/TP53 levels, stabilizing PIK3C3/VPS34-containing complexes and thus promoting autophagy.
Therapeutic significance:
Understanding the role of Ubiquitin carboxyl-terminal hydrolase 13 could open doors to potential therapeutic strategies.