Focused On-demand Library for Chronophin

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.

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.

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.

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

Q96GD0

UPID:

PLPP_HUMAN

Alternative names:

Pyridoxal phosphate phosphatase

Alternative UPACC:

Q96GD0; Q9UGY2

Background:

Chronophin, identified by its alternative name Pyridoxal phosphate phosphatase, plays a crucial role in vitamin B6 metabolism by catalyzing the dephosphorylation of pyridoxal phosphate (PLP) and its derivatives. This enzyme not only facilitates the regulation of vitamin B6 levels but also acts as a protein serine phosphatase, specifically targeting the actin-depolymerizing factor (ADF)/cofilin family, thus influencing actin cytoskeleton reorganization and cell division processes.

Therapeutic significance:

Understanding the role of Chronophin could open doors to potential therapeutic strategies, especially considering its involvement in critical cellular functions such as mitosis and cytokinesis. Its unique position in vitamin B6 metabolism and actin cytoskeleton regulation presents intriguing possibilities for targeting in various diseases.