Focused On-demand Library for Axin-2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.


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.


We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q9Y2T1

UPID:
AXIN2_HUMAN

ALTERNATIVE NAMES:
Axin-like protein; Axis inhibition protein 2; Conductin

ALTERNATIVE UPACC:
Q9Y2T1; Q3MJ88; Q9H3M6; Q9UH84

BACKGROUND:
The protein Axin-2, known under various names such as Conductin, Axis inhibition protein 2, and Axin-like protein, is integral to the inhibition of the Wnt signaling pathway. It achieves this by facilitating the phosphorylation and subsequent down-regulation of beta-catenin and APC through GSK3B. This action is vital for cell growth control and differentiation, playing a key role in preventing aberrant cellular proliferation.

THERAPEUTIC SIGNIFICANCE:
Given Axin-2's critical function in diseases like colorectal cancer and its syndrome variant, Oligodontia-colorectal cancer syndrome, targeting this protein could be a promising strategy in drug discovery. The protein's direct involvement in these conditions, by modulating the Wnt pathway, underscores its therapeutic potential. Leveraging insights into Axin-2's mechanism could pave the way for innovative treatments, especially for colorectal cancer, where the pathway's disruption is often implicated.

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