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.
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 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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y2R2
UPID:
PTN22_HUMAN
Alternative names:
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP; Lymphoid phosphatase; PEST-domain phosphatase
Alternative UPACC:
Q9Y2R2; A0N0K6; B1ALC8; D4NZ71; E9PLD8; E9PPI1; O95063; O95064; Q6IPX8; Q8WVM1
Background:
Tyrosine-protein phosphatase non-receptor type 22 (PTPN22) plays a pivotal role in immune response regulation. Known by its alternative names, Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP, Lymphoid phosphatase, and PEST-domain phosphatase, PTPN22 is crucial for T-cell receptor signaling, acting as a negative regulator through dephosphorylation of key signaling molecules. Its involvement extends to toll-like receptor-induced type 1 interferon production, highlighting its multifaceted role in biological systems.
Therapeutic significance:
PTPN22's association with autoimmune diseases such as Systemic lupus erythematosus, Type 1 diabetes mellitus, Rheumatoid arthritis, and Vitiligo underscores its therapeutic significance. Understanding the role of PTPN22 could open doors to potential therapeutic strategies, offering hope for targeted treatments in these complex conditions.