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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q13253
UPID:
NOGG_HUMAN
Alternative names:
-
Alternative UPACC:
Q13253
Background:
Noggin, encoded by the gene with accession number Q13253, plays a pivotal role as an inhibitor of bone morphogenetic proteins (BMP) signaling. This activity is crucial for the proper growth and patterning of the neural tube and somite, as well as being essential for cartilage morphogenesis and joint formation. Noggin's interaction with GDF5 and possibly GDF6 underscores its significance in inhibiting chondrocyte differentiation.
Therapeutic significance:
Given its involvement in a range of skeletal disorders, including Symphalangism, proximal 1A, Multiple synostoses syndrome 1, Tarsal-carpal coalition syndrome, Stapes ankylosis with broad thumb and toes, and Brachydactyly B2, Noggin presents a promising target for therapeutic intervention. Understanding the role of Noggin could open doors to potential therapeutic strategies for these conditions.