AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening 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.

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

Q86T03

UPID:

PP4P1_HUMAN

Alternative names:

PtdIns-4,5-P2 4-Ptase I; Transmembrane protein 55B

Alternative UPACC:

Q86T03; B2RA35; Q86U09; Q8WUC0; Q9BU67; Q9NSU8

Background:

Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase, also known as Transmembrane protein 55B, plays a crucial role in cellular processes by catalyzing the hydrolysis of phosphatidylinositol-4,5-bisphosphate to phosphatidylinositol-4-phosphate. This enzyme is selective, not acting on other phosphoinositides, and is involved in lysosomal positioning, V-ATPase complex assembly, mTORC1 activation, and potentially in cholesterol metabolism regulation.

Therapeutic significance:

Understanding the role of Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase could open doors to potential therapeutic strategies.

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