Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q86W25
UPID:
NAL13_HUMAN
Alternative names:
Nucleotide-binding oligomerization domain protein 14
Alternative UPACC:
Q86W25; Q7RTR5
Background:
Nucleotide-binding oligomerization domain protein 14, also known as NACHT, LRR, and PYD domains-containing protein 13, plays a crucial role in the body's inflammatory response. Its unique structure, characterized by the presence of NACHT, LRR, and PYD domains, positions it as a key player in the regulation of inflammation.
Therapeutic significance:
Understanding the role of Nucleotide-binding oligomerization domain protein 14 could open doors to potential therapeutic strategies. Its involvement in inflammation suggests it could be a target for developing treatments aimed at inflammatory conditions.