Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
We employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
Q99759
UPID:
M3K3_HUMAN
Alternative names:
MAPK/ERK kinase kinase 3
Alternative UPACC:
Q99759; B2RCW2; D3DU15; Q5BKZ6; Q8N3I9
Background:
Mitogen-activated protein kinase kinase kinase 3, also known as MAPK/ERK kinase kinase 3, plays a pivotal role in the protein kinase signal transduction cascade. It is instrumental in mediating the activation of key transcriptional regulators including NF-kappa-B, AP1, and DDIT3, which are crucial for cellular responses to external stimuli.
Therapeutic significance:
Understanding the role of Mitogen-activated protein kinase kinase kinase 3 could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways highlights its potential as a target for drug discovery efforts aimed at modulating cellular responses.