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

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.

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

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

Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.

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

Reaxense

upacc

P48443

UPID:

RXRG_HUMAN

Alternative names:

Nuclear receptor subfamily 2 group B member 3; Retinoid X receptor gamma

Alternative UPACC:

P48443; A6NIP1; Q6IBU7

Background:

The Retinoic acid receptor RXR-gamma, also known as Nuclear receptor subfamily 2 group B member 3, plays a pivotal role in mediating the effects of retinoic acid through binding as heterodimers to target response elements. This interaction regulates gene expression in various biological processes, highlighting its significance in cellular function and development.

Therapeutic significance:

Understanding the role of Retinoic acid receptor RXR-gamma could open doors to potential therapeutic strategies. Its involvement in gene regulation through retinoic acid response elements positions it as a key player in cellular processes, offering a promising target for drug discovery.