Focused On-demand Library for Retinoic acid receptor RXR-alpha

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted 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

P19793

UPID:

RXRA_HUMAN

Alternative names:

Nuclear receptor subfamily 2 group B member 1; Retinoid X receptor alpha

Alternative UPACC:

P19793; B3KY83; Q2NL52; Q2V504

Background:

Retinoic acid receptor RXR-alpha, also known as Nuclear receptor subfamily 2 group B member 1, is a pivotal transcription factor activated by retinoic acid. It forms dimers with retinoic acid receptors (RARs) to regulate gene expression in vital biological processes. This protein binds to retinoic acid response elements (RARE) to modulate transcription, playing a crucial role in various cellular functions including lipid metabolism, immune response, and cellular differentiation.

Therapeutic significance:

Understanding the role of Retinoic acid receptor RXR-alpha could open doors to potential therapeutic strategies. Its involvement in transcription regulation and cellular processes highlights its potential as a target for drug discovery, aiming to modulate gene expression in diseases where these pathways are disrupted.