Focused On-demand Library for 11-beta-hydroxysteroid dehydrogenase 1

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.

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 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 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.

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

P28845

UPID:

DHI1_HUMAN

Alternative names:

7-oxosteroid reductase; Corticosteroid 11-beta-dehydrogenase isozyme 1; Short chain dehydrogenase/reductase family 26C member 1

Alternative UPACC:

P28845; B2R9Z1; D3DT89

Background:

11-beta-hydroxysteroid dehydrogenase 1, also known as 7-oxosteroid reductase or Corticosteroid 11-beta-dehydrogenase isozyme 1, plays a pivotal role in cortisone metabolism. It controls the conversion of cortisone to cortisol and is involved in various biological processes including the anti-inflammatory response, metabolic and homeostatic processes, and maintaining intraocular pressure. Its ability to interconvert neurosteroids and metabolize dietary oxysterols links it to crucial physiological functions.

Therapeutic significance:

The protein's involvement in Cortisone reductase deficiency 2, a disorder characterized by hyperandrogenism and infertility, underscores its therapeutic significance. Targeting 11-beta-hydroxysteroid dehydrogenase 1 could lead to novel treatments for this and potentially other related disorders, highlighting the importance of further research into its functions and regulatory mechanisms.