AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 17-beta-hydroxysteroid dehydrogenase type 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P37058

UPID:

DHB3_HUMAN

Alternative names:

Estradiol 17-beta-dehydrogenase 2; Short chain dehydrogenase/reductase family 12C member 2; Testicular 17-beta-hydroxysteroid dehydrogenase; Testosterone 17-beta-dehydrogenase 3

Alternative UPACC:

P37058; Q5U0Q6

Background:

17-beta-hydroxysteroid dehydrogenase type 3 plays a pivotal role in the biosynthesis of androgens, catalyzing the conversion of 17-oxosteroids to 17beta-hydroxysteroids. It specifically facilitates the reduction of androstenedione to testosterone, a critical androgen in male development. This enzyme uniquely utilizes NADPH for the reduction process, distinguishing it from other enzymes in its family.

Therapeutic significance:

The enzyme's deficiency is linked to Male pseudohermaphroditism with gynecomastia, a disorder stemming from inadequate testosterone synthesis. Understanding the enzyme's function could pave the way for novel treatments targeting the underlying genetic variants, offering hope for affected individuals.

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