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 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 use our state-of-the-art dedicated workflow for designing 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:
partner
Reaxense
upacc
P23469
UPID:
PTPRE_HUMAN
Alternative names:
-
Alternative UPACC:
P23469; Q13345; Q5VWH3; Q5VWH4; Q96KQ6
Background:
Receptor-type tyrosine-protein phosphatase epsilon, encoded by the gene P23469, plays a pivotal role in various cellular processes. Isoform 1 is crucial for signaling transduction pathways and phosphoprotein network topology in red blood cells and may influence osteoclast formation. Isoform 2, on the other hand, acts as a negative regulator of insulin receptor signaling in skeletal muscle, affecting glucose uptake and phosphorylation events. Both isoforms negatively regulate FceRI-mediated signal transduction, impacting cytokine production and degranulation.
Therapeutic significance:
Understanding the role of Receptor-type tyrosine-protein phosphatase epsilon could open doors to potential therapeutic strategies. Its involvement in insulin signaling and immune response modulation presents a unique opportunity for the development of treatments targeting metabolic disorders and inflammatory conditions.