Focused On-demand Library for Probable threonine protease PRSS50

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.

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.

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.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UI38

UPID:

TSP50_HUMAN

Alternative names:

Cancer/testis antigen 20; Serine protease 50; Testis-specific protease-like protein 50

Alternative UPACC:

Q9UI38

Background:

The Probable threonine protease PRSS50, also known as Cancer/testis antigen 20, Serine protease 50, and Testis-specific protease-like protein 50, is recognized for its potential role in proteolysis through threonine endopeptidase activity. This protein's unique enzymatic function suggests a pivotal role in the breakdown of proteins by cleaving peptide bonds, a critical process in various biological pathways.

Therapeutic significance:

Understanding the role of Probable threonine protease PRSS50 could open doors to potential therapeutic strategies. Its involvement in proteolytic processes makes it a candidate for research in disease mechanisms where protease activity is dysregulated.