Focused On-demand Library for Phosphatidylinositol 4-kinase alpha

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 employ our advanced, specialised process to create 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

P42356

UPID:

PI4KA_HUMAN

Alternative names:

Phosphatidylinositol 4-Kinase III alpha

Alternative UPACC:

P42356; Q7Z625; Q9UPG2

Background:

Phosphatidylinositol 4-kinase alpha, alternatively known as Phosphatidylinositol 4-Kinase III alpha, plays a pivotal role in cellular processes by acting on phosphatidylinositol in the production of inositol-1,4,5-trisphosphate, a second messenger crucial for intracellular signaling. This protein's function is integral to the regulation of various cellular pathways.

Therapeutic significance:

The protein is implicated in severe disorders such as Neurodevelopmental disorder with spasticity, hypomyelinating leukodystrophy, and brain abnormalities, Gastrointestinal defects and immunodeficiency syndrome 2, and Spastic paraplegia 84, autosomal recessive. These associations highlight its potential as a target for therapeutic intervention in treating these debilitating conditions.