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

Details

Focused On-demand Libraries - Receptor.AI 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q8TCG2

UPID:
P4K2B_HUMAN

ALTERNATIVE NAMES:
Phosphatidylinositol 4-kinase type II-beta

ALTERNATIVE UPACC:
Q8TCG2; Q9NUW2

BACKGROUND:
The enzyme Phosphatidylinositol 4-kinase type 2-beta, alternatively known as Phosphatidylinositol 4-kinase type II-beta, is integral to the cell's phosphatidylinositol 4-kinase activity. It is essential for the initial phosphorylation of phosphatidylinositol (PI) to PI4P, leading to the generation of PIP2 and subsequently inositol 1,4,5-trisphosphate (InsP3), a crucial second messenger. This enzyme's activity is notably important in the plasma membrane, endosomal, and Golgi compartments, contributing to the regulation of vesicular trafficking.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Phosphatidylinositol 4-kinase type 2-beta offers a promising avenue for developing novel 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.

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