Focused On-demand Library for Sprouty-related, EVH1 domain-containing protein 1

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

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
Q7Z699

UPID:
SPRE1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q7Z699; B2RPJ8; Q05D53; Q8N256

BACKGROUND:
The Sprouty-related, EVH1 domain-containing protein 1 is a tyrosine kinase substrate that serves as a critical regulator in various signaling pathways, including those that inhibit MAP kinase activation and fibroblast growth factor-induced differentiation. Its ability to modulate hematopoiesis and epithelial-to-mesenchymal transition underscores its importance in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given its association with Legius syndrome, characterized by distinct physical manifestations and cognitive challenges, the exploration of Sprouty-related, EVH1 domain-containing protein 1's function and its genetic variants could pave the way for novel therapeutic approaches. This protein's intricate role in disease pathogenesis makes it a prime target for drug discovery efforts.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.