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
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
Q9BY84
UPID:
DUS16_HUMAN
Alternative names:
Mitogen-activated protein kinase phosphatase 7
Alternative UPACC:
Q9BY84; Q547C7; Q96QS2; Q9C0G3
Background:
Dual specificity protein phosphatase 16 (DSP16), also known as Mitogen-activated protein kinase phosphatase 7, plays a pivotal role in cellular signaling by inactivating MAP kinases. It specifically dephosphorylates MAPK10 when bound to ARRB2, showcasing its unique dual specificity. This protein's ability to regulate MAP kinases positions it as a crucial mediator in various cellular processes.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase 16 could open doors to potential therapeutic strategies. Its involvement in the MAP kinase signaling pathway suggests its potential as a target in diseases where this pathway is dysregulated.