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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q13332
UPID:
PTPRS_HUMAN
Alternative names:
Receptor-type tyrosine-protein phosphatase sigma
Alternative UPACC:
Q13332; O75255; O75870; Q15718; Q16341; Q2M3R7
Background:
Receptor-type tyrosine-protein phosphatase S (PTPRS) serves as a cell surface receptor that interacts with glycosaminoglycans, playing a pivotal role in brain development and neurite outgrowth regulation. It functions by binding to chondroitin sulfate and heparan sulfate proteoglycans, influencing PTPRS oligomerization and neurite extension in opposite manners. This protein is essential for the proper development of the pituitary gland and olfactory bulb, acting as a tyrosine phosphatase to mediate dephosphorylation of key signaling molecules.
Therapeutic significance:
Understanding the role of Receptor-type tyrosine-protein phosphatase S could open doors to potential therapeutic strategies.