Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43318
UPID:
M3K7_HUMAN
Alternative names:
Transforming growth factor-beta-activated kinase 1
Alternative UPACC:
O43318; B2RE27; E1P523; O43317; O43319; Q5TDN2; Q5TDN3; Q5TDT7; Q9NTR3; Q9NZ70
Background:
Mitogen-activated protein kinase kinase kinase 7 (MAP3K7), also known as Transforming growth factor-beta-activated kinase 1, plays a pivotal role in the MAP kinase signal transduction pathway. It is crucial for cellular responses to environmental changes, mediating signal transduction of various cytokines and receptors, and activating several MAP kinase kinases and pathways, including the NF-kappa-B activation.
Therapeutic significance:
MAP3K7 is linked to Frontometaphyseal dysplasia 2 and Cardiospondylocarpofacial syndrome, diseases characterized by skeletal dysplasia, cardiac malformations, and deafness. Understanding the role of MAP3K7 could open doors to potential therapeutic strategies for these conditions.