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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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.

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.