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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 top-notch dedicated system is used to design specialised 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
Q9Y2U5
UPID:
M3K2_HUMAN
Alternative names:
MAPK/ERK kinase kinase 2
Alternative UPACC:
Q9Y2U5; B9EG87; Q53QL9; Q53S75; Q59GZ6; Q8NC32; Q9NYK3
Background:
Mitogen-activated protein kinase kinase kinase 2 (MAPK/ERK kinase kinase 2) is a pivotal component in the protein kinase signal transduction cascade. It specifically regulates the JNK and ERK5 pathways through phosphorylation and activation of MAP2K5 and MAP2K7. This protein plays a crucial role in the dynamics of caveolae kiss-and-run, highlighting its importance in cellular signaling and response mechanisms.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 2 could open doors to potential therapeutic strategies. Its involvement in key signaling pathways suggests that modulating its activity could offer new avenues for treating diseases linked to these pathways.