Focused On-demand Library for Proteasome subunit beta type-11

Focused On-demand Libraries - Reaxense Collaboration

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

A5LHX3

UPID:

PSB11_HUMAN

Alternative names:

Proteasome subunit beta-5t

Alternative UPACC:

A5LHX3

Background:

The Proteasome subunit beta type-11, also known as Proteasome subunit beta-5t, is a crucial component of the proteasome complex, involved in degrading peptides with specific amino acids at neutral or slightly basic pH. Its unique ability to cleave peptides near Arg, Phe, Tyr, Leu, and Glu makes it essential for protein homeostasis. This subunit, when incorporated, modulates the proteasome's chymotrypsin-like activity, highlighting its regulatory role in proteolysis.

Therapeutic significance:

Understanding the role of Proteasome subunit beta type-11 could open doors to potential therapeutic strategies. Its pivotal role in the development of CD8-positive T cells suggests its importance in immune response and potential in immunotherapy development.