AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein sprouty homolog 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

O43597

UPID:

SPY2_HUMAN

Alternative names:

-

Alternative UPACC:

O43597; B2R9J9; Q5T6Z7

Background:

Protein sprouty homolog 2 plays a pivotal role in cellular processes by acting as an antagonist of fibroblast growth factor (FGF) pathways. This inhibition is crucial for modulating various developmental processes, including retinal lens fiber differentiation, limb bud outgrowth, and respiratory organogenesis. Additionally, it plays a role in inhibiting TGFB-induced epithelial-to-mesenchymal transition in retinal lens epithelial cells and prevents CBL/C-CBL-mediated EGFR ubiquitination, highlighting its significance in cellular signaling pathways.

Therapeutic significance:

Given its involvement in IgA nephropathy 3, a condition characterized by renal insufficiency progressing to end-stage renal disease, Protein sprouty homolog 2 is a target of interest for therapeutic intervention. Understanding its function and the genetic variants affecting it opens doors to developing strategies aimed at mitigating disease progression and improving patient outcomes.

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