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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's 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.