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.
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 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
Q9HC29
UPID:
NOD2_HUMAN
Alternative names:
Caspase recruitment domain-containing protein 15; Inflammatory bowel disease protein 1
Alternative UPACC:
Q9HC29; E2JEQ6; Q96RH5; Q96RH6; Q96RH8
Background:
Nucleotide-binding oligomerization domain-containing protein 2 (NOD2) is a critical pattern recognition receptor (PRR) that plays a pivotal role in gastrointestinal immunity. It detects bacterial peptidoglycan fragments, activating immune responses. NOD2's interaction with various signaling molecules triggers pathways essential for maintaining intestinal microbiota balance and controlling inflammation.
Therapeutic significance:
NOD2's involvement in Blau syndrome, Inflammatory bowel disease 1, and Yao syndrome highlights its therapeutic significance. Understanding NOD2's role could lead to innovative treatments for these conditions, emphasizing the importance of targeting this protein in drug discovery efforts.