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 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
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.