Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
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.