Focused On-demand Library for L-xylulose reductase

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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:

L-xylulose reductase, also known as Carbonyl reductase II, plays a pivotal role in glucose metabolism through the uronate cycle. It catalyzes the NADPH-dependent reduction of pentoses, tetroses, trioses, and alpha-dicarbonyl compounds, including L-xylulose. This enzyme is crucial for water absorption and cellular osmoregulation in proximal renal tubules by producing xylitol, an essential osmolyte.

Therapeutic significance:

L-xylulose reductase is directly linked to Pentosuria, a metabolic disorder characterized by excessive urinary excretion of L-xylulose due to gene variants. Understanding the enzyme's role could lead to innovative therapeutic strategies for managing Pentosuria and enhancing renal tubule function.