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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q6BCY4
UPID:
NB5R2_HUMAN
Alternative names:
-
Alternative UPACC:
Q6BCY4; Q9BVA3; Q9UF68; Q9UHJ0
Background:
NADH-cytochrome b5 reductase 2 plays a pivotal role in various biochemical pathways, including fatty acid desaturation and elongation, cholesterol biosynthesis, and drug metabolism. Its unique function in erythrocytes for methemoglobin reduction highlights its importance in maintaining cellular health. Additionally, it is responsible for NADH-dependent lucigenin chemiluminescence in spermatozoa, showcasing its role in reproductive biology.
Therapeutic significance:
Understanding the role of NADH-cytochrome b5 reductase 2 could open doors to potential therapeutic strategies. Its involvement in critical biochemical pathways suggests that modulation of its activity could offer novel approaches to treating metabolic disorders and enhancing drug metabolism.