Focused On-demand Library for Protein Wnt-5a

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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

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.


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
P41221

UPID:
WNT5A_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P41221; A8K4A4; Q6P278

BACKGROUND:
The Protein Wnt-5a, with the unique identifier P41221, is a critical regulator of the Wnt signaling pathway. It interacts with frizzled family receptors to either promote or inhibit beta-catenin signaling, affecting cell behavior such as migration and proliferation. Its role is vital in embryonic development, particularly in the formation of limbs and the genital tubercle, and in the suppression of tumor formation.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in Robinow syndrome, autosomal dominant 1, Protein Wnt-5a represents a promising target for therapeutic intervention. The disease's manifestations, including dwarfism and costovertebral segmentation defects, are linked to mutations affecting this protein. Exploring Protein Wnt-5a's function further could lead to innovative treatments for this and potentially other related disorders.

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