Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q9NZC7

UPID:
WWOX_HUMAN

ALTERNATIVE NAMES:
Fragile site FRA16D oxidoreductase; Short chain dehydrogenase/reductase family 41C member 1

ALTERNATIVE UPACC:
Q9NZC7; A8K323; Q5MYT5; Q96KM3; Q96RF2; Q9BTT8; Q9NPC9; Q9NRF4; Q9NRF5; Q9NRF6; Q9NRK1; Q9NZC5

BACKGROUND:
WW domain-containing oxidoreductase, known for its roles as a tumor suppressor and in apoptosis, is crucial for bone development and in managing cellular response to genotoxic stress. It interacts with p53/TP53, contributes to TGFB1-mediated signaling pathways, and inhibits Wnt signaling, highlighting its multifaceted biological functions.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of WW domain-containing oxidoreductase could open doors to potential therapeutic strategies for treating diseases such as Esophageal cancer, Spinocerebellar ataxia 12, and Developmental and epileptic encephalopathy 28, by leveraging its tumor-suppressive and apoptosis-regulating capabilities.

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