Focused On-demand Library for Dehydrogenase/reductase SDR family member on chromosome X

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 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 high-tech, dedicated method is applied to construct targeted 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.

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

Q8N5I4

UPID:

DHRSX_HUMAN

Alternative names:

DHRSXY; Short chain dehydrogenase/reductase family 46C member 1; Short chain dehydrogenase/reductase family 7C member 6

Alternative UPACC:

Q8N5I4; Q6UWC7; Q8WUS4; Q96GR8; Q9NTF6

Background:

Dehydrogenase/reductase SDR family member on chromosome X, also known as DHRSXY, plays a crucial role in the positive regulation of starvation-induced autophagy. This protein, with alternative names such as Short chain dehydrogenase/reductase family 46C member 1 and Short chain dehydrogenase/reductase family 7C member 6, is pivotal in cellular processes.

Therapeutic significance:

Understanding the role of Dehydrogenase/reductase SDR family member on chromosome X could open doors to potential therapeutic strategies. Its involvement in autophagy regulation suggests its potential in targeting diseases where autophagy plays a critical role.