Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q92530
UPID:
PSMF1_HUMAN
Alternative names:
-
Alternative UPACC:
Q92530; A0AVQ9; D3DVW3; Q9H4I1
Background:
The Proteasome inhibitor PI31 subunit plays a crucial role in regulating proteasome function, essential for cellular homeostasis. It inhibits the hydrolysis of protein and peptide substrates by the 20S proteasome and blocks the activation of the proteasome by regulatory proteins PA700 and PA28.
Therapeutic significance:
Understanding the role of Proteasome inhibitor PI31 subunit could open doors to potential therapeutic strategies. Its ability to regulate proteasome activity suggests its involvement in controlling protein degradation, a process critical in various diseases.