Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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
Q9UJM8
UPID:
HAOX1_HUMAN
Alternative names:
Glycolate oxidase; Glyoxylate oxidase
Alternative UPACC:
Q9UJM8; Q14CQ0; Q9UPZ0; Q9Y3I7
Background:
2-Hydroxyacid oxidase 1, known alternatively as Glycolate oxidase or Glyoxylate oxidase, plays a crucial role in cellular metabolism. It exhibits broad substrate specificity, primarily oxidizing glycolate to glyoxylate, which is then converted to glycine in peroxisomes. This pathway is vital for detoxifying glyoxylate, preventing its conversion to oxalate and subsequent kidney stone formation. Additionally, it can oxidize other substrates, including long-chain hydroxyacids, though less efficiently.
Therapeutic significance:
Understanding the role of 2-Hydroxyacid oxidase 1 could open doors to potential therapeutic strategies. Its involvement in glyoxylate detoxification and prevention of kidney stone formation highlights its importance in metabolic processes and potential as a target for therapeutic intervention.