Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y6W6
UPID:
DUS10_HUMAN
Alternative names:
Mitogen-activated protein kinase phosphatase 5
Alternative UPACC:
Q9Y6W6; D3DTB4; Q6GSI4; Q9H9Z5
Background:
Dual specificity protein phosphatase 10 (DUSP10), also known as Mitogen-activated protein kinase phosphatase 5, plays a pivotal role in cellular processes by inactivating MAP kinases, specifically targeting the MAPK11/MAPK12/MAPK13/MAPK14 subfamily. This enzyme is crucial for dephosphorylating p38, a key pathway in the response to stress and inflammation.
Therapeutic significance:
Understanding the role of Dual specificity protein phosphatase 10 could open doors to potential therapeutic strategies. Its involvement in the MAP kinase pathway suggests a significant impact on inflammatory diseases and stress response mechanisms.