AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dehydrogenase/reductase SDR family member 9

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q9BPW9

UPID:

DHRS9_HUMAN

Alternative names:

3-alpha hydroxysteroid dehydrogenase; NADP-dependent retinol dehydrogenase/reductase; RDH-E2; RDHL; Retinol dehydrogenase 15; Short chain dehydrogenase/reductase family 9C member 4; Short-chain dehydrogenase/reductase retSDR8; Tracheobronchial epithelial cell-specific retinol dehydrogenase

Alternative UPACC:

Q9BPW9; B7Z416; D3DPC1; Q5RKX1; Q9NRA9; Q9NRB0

Background:

Dehydrogenase/reductase SDR family member 9, also known as 3-alpha hydroxysteroid dehydrogenase, plays a crucial role in steroid hormone metabolism by converting allopregnanolone and 3-alpha-androstanediol to dihydroxyprogesterone. It is also involved in the biosynthesis of retinoic acid from retinaldehyde, utilizing both NADH and NADPH as cofactors. This protein's alternative names include NADP-dependent retinol dehydrogenase/reductase and Retinol dehydrogenase 15, highlighting its diverse functions in biological systems.

Therapeutic significance:

Understanding the role of Dehydrogenase/reductase SDR family member 9 could open doors to potential therapeutic strategies, especially in the context of hormonal balance and retinoid metabolism.

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