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.
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.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P59046
UPID:
NAL12_HUMAN
Alternative names:
Monarch-1; PYRIN-containing APAF1-like protein 7; Regulated by nitric oxide
Alternative UPACC:
P59046; A8MTQ2; B3KTE7; Q8NEU4; Q9BY26
Background:
NACHT, LRR, and PYD domains-containing protein 12, also known as Monarch-1, PYRIN-containing APAF1-like protein 7, and Regulated by nitric oxide, plays a pivotal role in the immune system. It mitigates inflammation by inhibiting NF-kappa-B and ERK activation pathways, regulates NOD2 degradation, promotes bacterial tolerance, and modulates immune response against RNA viruses.
Therapeutic significance:
Linked to Familial cold autoinflammatory syndrome 2, a rare disease triggered by cold, understanding the role of this protein could open doors to potential therapeutic strategies.