Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O95470
UPID:
SGPL1_HUMAN
Alternative names:
Sphingosine-1-phosphate aldolase
Alternative UPACC:
O95470; B2RBD4; Q7Z732; Q9ULG8; Q9UN89
Background:
Sphingosine-1-phosphate lyase 1, alternatively known as Sphingosine-1-phosphate aldolase, plays a pivotal role in the metabolism of sphingolipids. It cleaves phosphorylated sphingoid bases into fatty aldehydes and phosphoethanolamine, crucial for lipid homeostasis and apoptosis. This enzyme is essential for maintaining global lipid balance in the liver, cholesterol regulation in fibroblasts, and modulates inflammatory responses and neuronal autophagy.
Therapeutic significance:
Nephrotic syndrome 14, a severe renal disorder leading to end-stage renal failure, is linked to mutations affecting Sphingosine-1-phosphate lyase 1. Understanding the role of this protein could open doors to potential therapeutic strategies, offering hope for patients suffering from this and possibly other related disorders.