Focused On-demand Library for R-spondin-2

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q6UXX9

UPID:
RSPO2_HUMAN

ALTERNATIVE NAMES:
Roof plate-specific spondin-2

ALTERNATIVE UPACC:
Q6UXX9; B3KVP0; Q4G0U4; Q8N6X6

BACKGROUND:
The protein R-spondin-2, with alternative naming as Roof plate-specific spondin-2, is integral to activating the canonical Wnt signaling pathway through its interaction with LGR4-6 receptors. This interaction is essential for the expression of target genes and plays a crucial role during embryonic development, especially in limb specification by modulating Wnt signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Given R-spondin-2's critical function in limb development and its association with conditions like Tetraamelia syndrome 2, its study offers a promising avenue for developing therapeutic interventions. Understanding the role of R-spondin-2 could open doors to potential therapeutic strategies, particularly for genetic disorders affecting limb formation.

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