Focused On-demand Library for Axin-1

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.


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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O15169

UPID:
AXIN1_HUMAN

ALTERNATIVE NAMES:
Axis inhibition protein 1

ALTERNATIVE UPACC:
O15169; Q4TT26; Q4TT27; Q86YA7; Q8WVW6; Q96S28

BACKGROUND:
The protein Axin-1, known for its alternative name Axis inhibition protein 1, is integral to regulating key cellular processes through the beta-catenin destruction complex. It is essential for maintaining proper levels of CTNNB1, facilitating Wnt-signaling, and activating JNK signaling pathways independent of Wnt. Axin-1's tumor suppressor capabilities and enhancement of TGF-beta signaling through the degradation of SMAD7 position it as a critical player in cell regulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Axin-1 could open doors to potential therapeutic strategies, especially considering its involvement in diseases like Hepatocellular carcinoma and Caudal duplication anomaly. Its function in modulating key signaling pathways and gene expression presents Axin-1 as a promising target for drug discovery efforts aimed at these conditions.

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