Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q9BX95
UPID:
SGPP1_HUMAN
Alternative names:
Sphingosine-1-phosphatase 1; Sphingosine-1-phosphate phosphohydrolase 1
Alternative UPACC:
Q9BX95; B2RAH0; Q9H189
Background:
Sphingosine-1-phosphate phosphatase 1, known for its critical role in dephosphorylating sphingosine 1-phosphate (S1P) and related compounds, does not act on other phospholipids. This enzyme is pivotal in recycling sphingosine into the sphingolipid synthesis pathway, regulating the bioactive sphingolipid metabolite S1P levels, which in turn influences diverse biological processes. It also plays a role in ceramide synthesis, sphingosine recycling, and the regulation of apoptosis and autophagy through modulation of ceramide and S1P levels.
Therapeutic significance:
Understanding the role of Sphingosine-1-phosphate phosphatase 1 could open doors to potential therapeutic strategies.