AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sphingosine 1-phosphate receptor 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

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 employ our advanced, specialised process to create targeted libraries for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

Sphingosine 1-phosphate receptor 5 (S1P5), also known as Endothelial differentiation G-protein-coupled receptor 8 and Sphingosine 1-phosphate receptor Edg-8, plays a pivotal role in cellular processes. It acts as a receptor for sphingosine 1-phosphate (S1P), a lysosphingolipid that influences various physiological effects across cell types and tissues. S1P5 is intricately linked to G(i/0)alpha and G(12) subclass of heteromeric G-proteins, suggesting its broad regulatory functions, including the transformation of radial glial cells into astrocytes and modulation of their proliferative activity.

Therapeutic significance:

Understanding the role of Sphingosine 1-phosphate receptor 5 could open doors to potential therapeutic strategies.

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