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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q04828
UPID:
AK1C1_HUMAN
Alternative names:
20-alpha-hydroxysteroid dehydrogenase; Chlordecone reductase homolog HAKRC; Dihydrodiol dehydrogenase 1; High-affinity hepatic bile acid-binding protein
Alternative UPACC:
Q04828; P52896; Q5SR15; Q7M4N2; Q9UCX2
Background:
Aldo-keto reductase family 1 member C1, known by alternative names such as 20-alpha-hydroxysteroid dehydrogenase and High-affinity hepatic bile acid-binding protein, plays a crucial role in the metabolism of hormones including estrogens and androgens. It catalyzes the reduction of ketosteroids to hydroxysteroids, displaying broad positional specificity and affinity for bile acids.
Therapeutic significance:
Understanding the role of Aldo-keto reductase family 1 member C1 could open doors to potential therapeutic strategies.