Focused On-demand Library for 17-beta-hydroxysteroid dehydrogenase 14

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q9BPX1

UPID:
DHB14_HUMAN

ALTERNATIVE NAMES:
17-beta-hydroxysteroid dehydrogenase DHRS10; Dehydrogenase/reductase SDR family member 10; Retinal short-chain dehydrogenase/reductase retSDR3; Short chain dehydrogenase/reductase family 47C member 1

ALTERNATIVE UPACC:
Q9BPX1; Q9UKU3

BACKGROUND:
The enzyme 17-beta-hydroxysteroid dehydrogenase 14, recognized for its pivotal function in the conversion of oestradiol to oestrone, is a key player in the regulation of steroid hormones. Operating with NAD-dependence, it underscores the enzyme's critical role in endocrine and metabolic processes. Known variably as Retinal short-chain dehydrogenase/reductase retSDR3 and Short chain dehydrogenase/reductase family 47C member 1, it showcases versatile functionality.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionality of 17-beta-hydroxysteroid dehydrogenase 14 offers a promising avenue for the development of novel therapeutic approaches. By elucidating its role in hormone regulation, new pathways for treating hormonal imbalances and related disorders may be uncovered.

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