Focused On-demand Library for Proteasome subunit beta type-8

Focused On-demand Libraries - Reaxense Collaboration

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P28062

UPID:

PSB8_HUMAN

Alternative names:

Low molecular mass protein 7; Macropain subunit C13; Multicatalytic endopeptidase complex subunit C13; Proteasome component C13; Proteasome subunit beta-5i; Really interesting new gene 10 protein

Alternative UPACC:

P28062; B0UZC0; Q29824; Q5JNW6; Q5QNR8; Q96J48

Background:

Proteasome subunit beta type-8, also known as PSMB8, plays a pivotal role in the proteasome complex, a key enzyme in protein degradation. It is involved in antigen processing, generation of spliced peptides, and plays a crucial role in the immune response and apoptosis. PSMB8 is essential for the differentiation of preadipocytes into adipocytes and has a significant role in the inflammatory response pathway.

Therapeutic significance:

The mutation in PSMB8 is linked to Proteasome-associated autoinflammatory syndrome 1, a disorder marked by recurrent fever, joint stiffness, and severe skin lesions. Understanding the role of PSMB8 could open doors to potential therapeutic strategies for treating this autoinflammatory disorder and possibly other conditions related to immune dysregulation.