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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q6IPT4
UPID:
NB5R5_HUMAN
Alternative names:
-
Alternative UPACC:
Q6IPT4; B7ZBS4; Q8NF25
Background:
NADH-cytochrome b5 reductase-like proteins play a pivotal role in various metabolic pathways, including fatty acid desaturation and elongation, cholesterol biosynthesis, and drug metabolism. In erythrocytes, they are crucial for methemoglobin reduction, maintaining hemoglobin in its functional state.
Therapeutic significance:
Understanding the role of NADH-cytochrome b5 reductase-like could open doors to potential therapeutic strategies.