Focused On-demand Library for Sphingosine-1-phosphate phosphatase 2

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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.

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

Q8IWX5

UPID:

SGPP2_HUMAN

Alternative names:

Sphingosine-1-phosphatase 2

Alternative UPACC:

Q8IWX5; A3KPB4; Q8N8Q6

Background:

Sphingosine-1-phosphate phosphatase 2, alternatively known as Sphingosine-1-phosphatase 2, plays a crucial role in the metabolism of sphingolipids. It exhibits high phosphohydrolase activity against dihydrosphingosine-1-phosphate and sphingosine-1-phosphate (S1P), essential for recycling sphingosine into the sphingolipid synthesis pathway. This protein is instrumental in attenuating intracellular S1P signaling and is implicated in pro-inflammatory signaling and the regulation of pancreatic islet beta-cell endoplasmic reticulum stress and proliferation.

Therapeutic significance:

Understanding the role of Sphingosine-1-phosphate phosphatase 2 could open doors to potential therapeutic strategies, particularly in managing diseases related to sphingolipid metabolism, inflammation, and pancreatic islet beta-cell function.