Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.


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
Q99500

UPID:
S1PR3_HUMAN

ALTERNATIVE NAMES:
Endothelial differentiation G-protein coupled receptor 3; Sphingosine 1-phosphate receptor Edg-3

ALTERNATIVE UPACC:
Q99500; Q5SQD8; Q7Z5I2

BACKGROUND:
The Sphingosine 1-phosphate receptor 3, known alternatively as Sphingosine 1-phosphate receptor Edg-3, is integral to the S1P signaling pathway. This receptor's activation influences a wide range of cellular activities, including proliferation and apoptosis prevention, underscoring its significance in cellular physiology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Sphingosine 1-phosphate receptor 3 offers a promising avenue for therapeutic intervention. Its critical role in mediating lysosphingolipid-induced cellular effects positions it as a valuable target for developing novel treatments that regulate cell growth and survival.

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