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.


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


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our top-notch dedicated system is used to design specialised 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.


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
Receptor.AI
 
UPACC
Q13572

UPID:
ITPK1_HUMAN

ALTERNATIVE NAMES:
Inositol 1,3,4-trisphosphate 5/6-kinase

ALTERNATIVE UPACC:
Q13572; Q9BTL6; Q9H2E7

BACKGROUND:
Inositol-tetrakisphosphate 1-kinase, with its alternative name Inositol 1,3,4-trisphosphate 5/6-kinase, is a key enzyme in the metabolism of inositol phosphates. It functions as both a kinase and phosphatase, playing a significant role in the synthesis of inositolhexakisphosphate (InsP6) and the regulation of TNF-alpha-induced apoptosis. Its activity affects MLKL-mediated necroptosis, highlighting its importance in cell death pathways.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Inositol-tetrakisphosphate 1-kinase could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.