Focused On-demand Library for L-xylulose reductase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q7Z4W1

UPID:
DCXR_HUMAN

ALTERNATIVE NAMES:
Carbonyl reductase II; Dicarbonyl/L-xylulose reductase; Kidney dicarbonyl reductase; Short chain dehydrogenase/reductase family 20C member 1; Sperm surface protein P34H

ALTERNATIVE UPACC:
Q7Z4W1; Q9BTZ3; Q9UHY9

BACKGROUND:
The enzyme L-xylulose reductase, known under various names such as Dicarbonyl/L-xylulose reductase and Kidney dicarbonyl reductase, is integral to the uronate cycle of glucose metabolism. It efficiently reduces several carbohydrates and alpha-dicarbonyl compounds, playing a significant role in preventing osmolytic stress in renal tubules by generating xylitol.

THERAPEUTIC SIGNIFICANCE:
Involvement of L-xylulose reductase in Pentosuria, an inherited metabolic anomaly, underscores its clinical importance. The enzyme's dysfunction due to genetic variations leads to this condition, highlighting the potential of targeting L-xylulose reductase for therapeutic interventions in metabolic disorders and renal osmoregulation.

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