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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q02338
UPID:
BDH_HUMAN
Alternative names:
3-hydroxybutyrate dehydrogenase; Short chain dehydrogenase/reductase family 9C member 1
Alternative UPACC:
Q02338; D3DXC0; Q96ET1; Q9BRZ4
Background:
D-beta-hydroxybutyrate dehydrogenase, mitochondrial, also known as 3-hydroxybutyrate dehydrogenase and part of the short chain dehydrogenase/reductase family 9C member 1, plays a pivotal role in ketone body metabolism. This enzyme catalyzes the reversible conversion of acetoacetate to D-beta-hydroxybutyrate in the mitochondria, a critical step in the utilization of fat as an energy source during fasting states.
Therapeutic significance:
Understanding the role of D-beta-hydroxybutyrate dehydrogenase could open doors to potential therapeutic strategies. Its involvement in energy metabolism makes it a potential target for conditions related to metabolic dysfunctions.