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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q4G0W2
UPID:
DUS28_HUMAN
Alternative names:
-
Alternative UPACC:
Q4G0W2
Background:
Dual specificity phosphatase 28 (DUSP28) exhibits unique phosphatase activity, preferentially dephosphorylating synthetic substrates like 6,8-difluoro-4-methylumbelliferyl phosphate. Its activity profile is characterized by negligible action on phosphotyrosine and even lower on phosphothreonine, with no activity on phosphoserine. This specificity suggests a highly selective mechanism, potentially influenced by steric hindrance at the active site.
Therapeutic significance:
Understanding the role of Dual specificity phosphatase 28 could open doors to potential therapeutic strategies.