Focused On-demand Library for Probable protein phosphatase 1N

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised 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.

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

Q8N819

UPID:

PPM1N_HUMAN

Alternative names:

Alternative UPACC:

Q8N819; Q6P662

Background:

The Probable protein phosphatase 1N, encoded by the gene with the accession number Q8N819, plays a crucial role in cellular processes through its enzymatic activity. This protein is involved in the dephosphorylation of serine and threonine residues in target proteins, a key step in various signaling pathways. Its precise functions and interactions within the cell remain a subject of ongoing research, highlighting its potential as a significant biological entity.

Therapeutic significance:

Understanding the role of Probable protein phosphatase 1N could open doors to potential therapeutic strategies. The exploration of its enzymatic mechanisms and substrates provides a foundation for the development of targeted treatments, particularly in diseases where signaling pathways are dysregulated.