Focused On-demand Library for Low-density lipoprotein receptor-related protein 6

Details

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.


We employ our advanced, specialised process to create targeted 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.


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
O75581

UPID:
LRP6_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
O75581; Q17RZ2

BACKGROUND:
The protein Low-density lipoprotein receptor-related protein 6 plays a significant role in the Wnt/beta-catenin signaling pathway, essential for bone development and cellular patterning processes. By facilitating the aggregation of receptor-ligand complexes into signalosomes, LRP6 acts as a cell-surface coreceptor that is vital for the inhibition of beta-catenin destruction, thereby promoting gene transcription processes critical for development.

THERAPEUTIC SIGNIFICANCE:
Given LRP6's critical role in diseases such as coronary artery disease and selective tooth agenesis, targeting this protein could offer innovative therapeutic avenues. The exploration of LRP6's functions and its impact on disease pathogenesis is crucial for the development of targeted treatments that could alleviate or reverse the effects of these conditions.

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