AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphatidylinositol 4-kinase alpha

Available from Reaxense
Predicted by Alphafold

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.

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 our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.