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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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
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
Q9NRG7
UPID:
D39U1_HUMAN
Alternative names:
Short-chain dehydrogenase/reductase family 39U member 1
Alternative UPACC:
Q9NRG7; Q6ZW71; Q9BVQ3
Background:
Epimerase family protein SDR39U1, also known as Short-chain dehydrogenase/reductase family 39U member 1, is identified as a putative NADP-dependent oxidoreductase. This protein plays a crucial role in the metabolic processes, catalyzing the oxidation-reduction reactions that are essential for the metabolism of carbohydrates, lipids, and proteins.
Therapeutic significance:
Understanding the role of Epimerase family protein SDR39U1 could open doors to potential therapeutic strategies. Its involvement in fundamental metabolic processes makes it a promising target for the development of drugs aimed at treating metabolic disorders.