AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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

P48426

UPID:

PI42A_HUMAN

Alternative names:

1-phosphatidylinositol 5-phosphate 4-kinase 2-alpha; Diphosphoinositide kinase 2-alpha; PIP5KIII; Phosphatidylinositol 5-Phosphate 4-Kinase; Phosphatidylinositol 5-phosphate 4-kinase type II alpha; PtdIns(4)P-5-kinase B isoform; PtdIns(4)P-5-kinase C isoform; PtdIns(5)P-4-kinase isoform 2-alpha

Alternative UPACC:

P48426; B0YJ66; B4DGX2; D3DRV1; P53807; Q5VUX3

Background:

Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (P48426), known by various names such as PIP5KIII and PtdIns(4)P-5-kinase B isoform, plays a pivotal role in cellular processes. It catalyzes the phosphorylation of phosphatidylinositol 5-phosphate, influencing AKT activity, cholesterol transport, autophagy, and thrombopoiesis. Its activities span ATP- and GTP-dependent kinase functions, impacting cellular lipid metabolism and insulin signaling.

Therapeutic significance:

Understanding the role of Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha could open doors to potential therapeutic strategies, particularly in regulating autophagy, cholesterol metabolism, and insulin resistance.

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