Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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
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
Q9NRW4
UPID:
DUS22_HUMAN
Alternative names:
JNK-stimulatory phosphatase-1; Low molecular weight dual specificity phosphatase 2; Mitogen-activated protein kinase phosphatase x
Alternative UPACC:
Q9NRW4; B4DK56; Q59GW2; Q5VWR2; Q96AR1
Background:
Dual specificity protein phosphatase 22 (DUSP22), also known as JNK-stimulatory phosphatase-1, Low molecular weight dual specificity phosphatase 2, and Mitogen-activated protein kinase phosphatase x, plays a pivotal role in cellular processes by activating the Jnk signaling pathway. This pathway is crucial for cell proliferation, differentiation, and apoptosis.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase 22 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests its potential as a target in diseases where these pathways are dysregulated.