Focused On-demand Library for 17-beta-hydroxysteroid dehydrogenase type 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 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.

Our high-tech, dedicated method is applied to construct targeted 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.







Alternative names:

3-alpha->beta-hydroxysteroid epimerase; Oxidative 3-alpha hydroxysteroid dehydrogenase; Short chain dehydrogenase/reductase family 9C member 6

Alternative UPACC:

O14756; O43275


17-beta-hydroxysteroid dehydrogenase type 6, also known as 3-alpha->beta-hydroxysteroid epimerase, plays a pivotal role in steroid metabolism. It exhibits NAD-dependent oxidoreductase activity, influencing the conversion of steroids like androsterone and estradiol. This enzyme operates through both oxidative and reductive mechanisms, showcasing versatility in its function. Its ability to act on C-19 and C-21 3-alpha-hydroxysteroids underscores its broad substrate specificity.

Therapeutic significance:

Understanding the role of 17-beta-hydroxysteroid dehydrogenase type 6 could open doors to potential therapeutic strategies. Its involvement in steroid metabolism makes it a compelling target for addressing disorders related to steroid dysregulation.

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