Focused On-demand Library for Low molecular weight phosphotyrosine protein phosphatase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P24666

UPID:

PPAC_HUMAN

Alternative names:

Adipocyte acid phosphatase; Low molecular weight cytosolic acid phosphatase; Red cell acid phosphatase 1

Alternative UPACC:

P24666; A8K1L9; B5MCC7; P24667; Q16035; Q16036; Q16725; Q3KQX8; Q53RU0

Background:

The Low molecular weight phosphotyrosine protein phosphatase, also known as Adipocyte acid phosphatase, Low molecular weight cytosolic acid phosphatase, and Red cell acid phosphatase 1, is identified by the accession number P24666. It targets tyrosine phosphorylated proteins, low-MW aryl phosphates, and various acyl phosphates, showcasing distinct substrate specificities between its isoforms. Notably, it lacks phosphatase activity.

Therapeutic significance:

Understanding the role of Low molecular weight phosphotyrosine protein phosphatase could open doors to potential therapeutic strategies.