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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BUT1
UPID:
DHRS6_HUMAN
Alternative names:
(R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1
Alternative UPACC:
Q9BUT1; A8K295; B4DUF6; Q503A0; Q6IA46; Q6UWD3; Q9H8S8; Q9NRX8
Background:
Dehydrogenase/reductase SDR family member 6, known by alternative names such as (R)-beta-hydroxybutyrate dehydrogenase and 4-oxo-L-proline reductase, plays a crucial role in cellular processes. It functions as an NAD(H)-dependent dehydrogenase/reductase, preferring cyclic substrates. This protein is pivotal in the stereoselective conversion of 4-oxo-L-proline to cis-4-hydroxy-L-proline, a potential detoxification pathway for ketoprolines. Additionally, it facilitates the formation of 2,5-dihydroxybenzoate, a siderophore essential for iron transport and homeostasis, thereby protecting cells from oxidative stress.
Therapeutic significance:
Understanding the role of Dehydrogenase/reductase SDR family member 6 could open doors to potential therapeutic strategies.