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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q86W28
UPID:
NALP8_HUMAN
Alternative names:
Nucleotide-binding oligomerization domain protein 16; PYRIN and NACHT-containing protein 4
Alternative UPACC:
Q86W28; Q7RTR4
Background:
NACHT, LRR, and PYD domains-containing protein 8, also known as Nucleotide-binding oligomerization domain protein 16 or PYRIN and NACHT-containing protein 4, 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 8 could open doors to potential therapeutic strategies. Its involvement in inflammation suggests it could be a target for developing treatments for inflammatory diseases.