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.
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.
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 utilise our cutting-edge, exclusive workflow to develop 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
Q96JD6
UPID:
AKCL2_HUMAN
Alternative names:
Aldo-keto reductase family 1 member C-like protein 2; Aldo-keto reductase family 1 member E2; LoopADR; Testis aldo-keto reductase; Testis-specific protein
Alternative UPACC:
Q96JD6; Q86Z16; Q86Z17; Q86Z18; Q9BU71
Background:
1,5-anhydro-D-fructose reductase, known by its recommended name and alternative names such as Aldo-keto reductase family 1 member C-like protein 2 and Testis-specific protein, plays a crucial role in metabolic processes. It catalyzes the NADPH-dependent reduction of 1,5-anhydro-D-fructose to 1,5-anhydro-D-glucitol, showcasing its enzymatic activity in carbohydrate metabolism. This protein also exhibits reductase activity towards specific substrates like 9,10-phenanthrenequinone, highlighting its versatility in biochemical reactions.
Therapeutic significance:
Understanding the role of 1,5-anhydro-D-fructose reductase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways underscores its importance in maintaining cellular homeostasis and energy balance, making it a target of interest for drug discovery efforts aimed at metabolic disorders.