Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75365
UPID:
TP4A3_HUMAN
Alternative names:
PRL-R; Protein-tyrosine phosphatase 4a3; Protein-tyrosine phosphatase of regenerating liver 3
Alternative UPACC:
O75365; Q8IVN5; Q99849; Q9BTW5
Background:
Protein tyrosine phosphatase type IVA 3, known as PRL-R, Protein-tyrosine phosphatase 4a3, or Protein-tyrosine phosphatase of regenerating liver 3, plays a pivotal role in cell cycle progression from G1 to S phase. It is instrumental in enhancing cell proliferation, motility, and invasive activity, thereby facilitating cancer metastasis. Additionally, it contributes to cardiac hypertrophy progression by modulating intracellular calcium in response to angiotensin II.
Therapeutic significance:
Understanding the role of Protein tyrosine phosphatase type IVA 3 could open doors to potential therapeutic strategies.