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.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P80192
UPID:
M3K9_HUMAN
Alternative names:
Mixed lineage kinase 1
Alternative UPACC:
P80192; A3KN85; Q0D2G7; Q6EH31; Q9H2N5
Background:
Mitogen-activated protein kinase kinase kinase 9, also known as Mixed lineage kinase 1, is a pivotal serine/threonine kinase in the MAP kinase signal transduction pathway. It orchestrates cellular responses to environmental changes by activating the MKK/JNK cascade, which in turn regulates stress responses and apoptosis through transcription factors such as JUN and GATA4.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 9 could open doors to potential therapeutic strategies.