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.


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.


Our top-notch dedicated system is used to design specialised libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms of action.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
Q9H228

UPID:
S1PR5_HUMAN

ALTERNATIVE NAMES:
Endothelial differentiation G-protein-coupled receptor 8; Sphingosine 1-phosphate receptor Edg-8

ALTERNATIVE UPACC:
Q9H228; Q6NW11

BACKGROUND:
The Sphingosine 1-phosphate receptor 5 (S1P5), alternatively named Endothelial differentiation G-protein-coupled receptor 8 or Sphingosine 1-phosphate receptor Edg-8, is a critical receptor for S1P. This bioactive lysophospholipid elicits diverse physiological responses in a wide range of cells and tissues. S1P5's coupling to G(i/0)alpha and G(12) G-proteins underscores its significant regulatory role, particularly in the transformation and proliferation of radial glial cells and astrocytes.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Sphingosine 1-phosphate receptor 5 unveils potential pathways for therapeutic intervention.

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