Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P43378
UPID:
PTN9_HUMAN
Alternative names:
Protein-tyrosine phosphatase MEG2
Alternative UPACC:
P43378; Q53XR9
Background:
Tyrosine-protein phosphatase non-receptor type 9, also known as Protein-tyrosine phosphatase MEG2, encoded by the gene with accession number P43378, plays a pivotal role in cellular processes. It is involved in the dephosphorylation of tyrosine residues of proteins, a critical post-translational modification that regulates various cellular activities. This enzyme's unique function includes the transfer of hydrophobic ligands and involvement in Golgi apparatus functions, highlighting its importance in intracellular trafficking and protein modification.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 9 could open doors to potential therapeutic strategies. Its involvement in key cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits. The exploration of its functions and mechanisms offers a pathway to novel treatments for diseases where protein phosphorylation plays a crucial role.