Focused On-demand Library for Polyphosphoinositide phosphatase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

Our high-tech, dedicated method is applied to construct targeted 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

Q92562

UPID:

FIG4_HUMAN

Alternative names:

Phosphatidylinositol 3,5-bisphosphate 5-phosphatase; SAC domain-containing protein 3; Serine-protein phosphatase FIG4

Alternative UPACC:

Q92562; Q53H49; Q5TCS6

Background:

Polyphosphoinositide phosphatase, also known as Phosphatidylinositol 3,5-bisphosphate 5-phosphatase, SAC domain-containing protein 3, and Serine-protein phosphatase FIG4, plays a pivotal role in cellular processes by regulating the synthesis and turnover of phosphatidylinositol 3,5-bisphosphate. Its enzymatic activity is crucial for maintaining cellular phosphoinositide balance, impacting various signaling pathways.

Therapeutic significance:

The protein's involvement in diseases such as Charcot-Marie-Tooth disease 4J, Amyotrophic lateral sclerosis 11, Yunis-Varon syndrome, and bilateral temporooccipital Polymicrogyria highlights its potential as a therapeutic target. Understanding the role of Polyphosphoinositide phosphatase could open doors to potential therapeutic strategies for these neurodegenerative and developmental disorders.