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.


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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
O14732

UPID:
IMPA2_HUMAN

ALTERNATIVE NAMES:
Inositol-1(or 4)-monophosphatase 2; Myo-inositol monophosphatase A2

ALTERNATIVE UPACC:
O14732; B0YJ29; Q9UJT3

BACKGROUND:
Inositol monophosphatase 2, with alternative names Inositol-1(or 4)-monophosphatase 2 and Myo-inositol monophosphatase A2, is key in brain phospholipid signaling. It processes substrates like beta-glycerophosphate and 2'-AMP, indicating its broad role in cellular metabolism.

THERAPEUTIC SIGNIFICANCE:
The exploration of Inositol monophosphatase 2's function offers a promising avenue for drug discovery. Given its critical role in lithium's pharmacological effects, targeting this protein could lead to breakthroughs in therapies for psychiatric conditions.

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