Focused On-demand Library for Phosphatidylinositol 4-kinase type 2-beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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

Q8TCG2

UPID:

P4K2B_HUMAN

Alternative names:

Phosphatidylinositol 4-kinase type II-beta

Alternative UPACC:

Q8TCG2; Q9NUW2

Background:

Phosphatidylinositol 4-kinase type 2-beta, also known as Phosphatidylinositol 4-kinase type II-beta, plays a pivotal role in cellular processes by contributing to the overall phosphatidylinositol 4-kinase activity. This enzyme is crucial in the phosphorylation of phosphatidylinositol to phosphatidylinositol 4-phosphate (PI4P), a key step in the biosynthesis of phosphatidylinositol 4,5-bisphosphate (PIP2). PIP2 serves as a precursor for inositol 1,4,5-trisphosphate (InsP3), a second messenger involved in various signaling pathways. The protein's activity is particularly significant in plasma membrane, endosomal, and Golgi compartments.

Therapeutic significance:

Understanding the role of Phosphatidylinositol 4-kinase type 2-beta could open doors to potential therapeutic strategies. Its involvement in the production of InsP3 in stimulated cells suggests a key role in the regulation of vesicular trafficking, highlighting its potential as a target in diseases where these pathways are disrupted.