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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P28074
UPID:
PSB5_HUMAN
Alternative names:
Macropain epsilon chain; Multicatalytic endopeptidase complex epsilon chain; Proteasome chain 6; Proteasome epsilon chain; Proteasome subunit MB1; Proteasome subunit X
Alternative UPACC:
P28074; B2R4N9; B4DUM9; D3DS43; E9PAV2; Q16242; Q6PEW2; Q7Z3B5; Q86T01; Q9TNN9
Background:
Proteasome subunit beta type-5 (PSMB5) is a crucial component of the 20S core proteasome complex, playing a pivotal role in the proteolytic degradation of intracellular proteins. This degradation is essential for maintaining cellular function by removing damaged or misfolded proteins and regulating protein levels. PSMB5 is known by several alternative names, including Macropain epsilon chain and Proteasome subunit MB1, highlighting its multifaceted role in biological systems.
Therapeutic significance:
Understanding the role of Proteasome subunit beta type-5 could open doors to potential therapeutic strategies. Its involvement in protein homeostasis and degradation pathways makes it a compelling target for drug discovery, aiming to address diseases caused by protein accumulation or misfolding.