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.
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 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y239
UPID:
NOD1_HUMAN
Alternative names:
Caspase recruitment domain-containing protein 4
Alternative UPACC:
Q9Y239; B4DTU3; Q549U4; Q8IWF5
Background:
Nucleotide-binding oligomerization domain-containing protein 1 (NOD1), also known as Caspase recruitment domain-containing protein 4, plays a pivotal role in the immune system. It acts as a pattern recognition receptor (PRR) that detects bacterial peptidoglycan fragments, triggering innate and adaptive immune responses. NOD1 recognizes specific dipeptides present in the peptidoglycan of Gram-negative bacteria, leading to the activation of NF-kappa-B and MAP kinases signaling pathways. This activation results in the transcriptional activation of genes involved in immune response, antiviral response, and autophagy.
Therapeutic significance:
Understanding the role of Nucleotide-binding oligomerization domain-containing protein 1 could open doors to potential therapeutic strategies.