Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P59045
UPID:
NAL11_HUMAN
Alternative names:
Nucleotide-binding oligomerization domain protein 17; PAAD-and NACHT domain-containing protein 10; PYRIN-containing APAF1-like protein 6
Alternative UPACC:
P59045; C9JSF5; Q2TV85; Q2TV86; Q53ZZ0; Q8NBF5
Background:
NACHT, LRR, and PYD domains-containing protein 11, also known as Nucleotide-binding oligomerization domain protein 17, PAAD-and NACHT domain-containing protein 10, and PYRIN-containing APAF1-like protein 6, plays a crucial role in inflammation processes. Its unique structure, characterized by the presence of NACHT, LRR, and PYD domains, positions it as a key player in the innate immune response.
Therapeutic significance:
Understanding the role of NACHT, LRR, and PYD domains-containing protein 11 could open doors to potential therapeutic strategies. Its involvement in inflammation suggests it could be a target for developing treatments for inflammatory diseases.