AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Axin-1

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.

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

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O15169

UPID:

AXIN1_HUMAN

Alternative names:

Axis inhibition protein 1

Alternative UPACC:

O15169; Q4TT26; Q4TT27; Q86YA7; Q8WVW6; Q96S28

Background:

Axin-1, also known as Axis inhibition protein 1, plays a crucial role in the beta-catenin destruction complex, pivotal for Wnt-signaling modulation and cell development. It regulates CTNNB1 levels through phosphorylation and ubiquitination, influencing both cell growth and apoptosis. Axin-1's involvement in dorsoventral patterning and its function as a component of the AXIN1-HIPK2-TP53 complex underline its significance in cellular processes.

Therapeutic significance:

Axin-1's association with Hepatocellular carcinoma and Caudal duplication anomaly highlights its potential as a therapeutic target. Its role in disease pathogenesis, particularly through the hypermethylation of the AXIN1 promoter in Caudal duplication anomaly, underscores the importance of understanding Axin-1 in developing treatments for these conditions.

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