AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Retinol dehydrogenase 14

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

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

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.

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

Reaxense

upacc

Q9HBH5

UPID:

RDH14_HUMAN

Alternative names:

Alcohol dehydrogenase PAN2; Short chain dehydrogenase/reductase family 7C member 4

Alternative UPACC:

Q9HBH5

Background:

Retinol dehydrogenase 14 (RDH14), also known as Alcohol dehydrogenase PAN2 and Short chain dehydrogenase/reductase family 7C member 4, is a pivotal enzyme in retinol metabolism. It exhibits a strong preference for NADP and is highly active towards various forms of retinol, including 9-cis, 11-cis, and all-trans-retinol, while demonstrating minimal activity towards 13-cis-retinol. RDH14 does not engage in steroid metabolism.

Therapeutic significance:

Understanding the role of Retinol dehydrogenase 14 could open doors to potential therapeutic strategies.

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