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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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
Q8WX94
UPID:
NALP7_HUMAN
Alternative names:
Nucleotide-binding oligomerization domain protein 12; PYRIN-containing APAF1-like protein 3
Alternative UPACC:
Q8WX94; E9PE16; Q32MH8; Q7RTR1
Background:
NACHT, LRR, and PYD domains-containing protein 7, also known as Nucleotide-binding oligomerization domain protein 12 or PYRIN-containing APAF1-like protein 3, plays a crucial role in inhibiting CASP1/caspase-1-dependent IL1B secretion. This protein's unique structure allows it to interact with key components of the immune response.
Therapeutic significance:
Its involvement in Hydatidiform mole, recurrent, 1, a disorder characterized by abnormal pregnancies, highlights its potential as a target for therapeutic intervention. Understanding the role of NACHT, LRR, and PYD domains-containing protein 7 could open doors to potential therapeutic strategies.