Focused On-demand Library for ATP-dependent RNA helicase DDX39A

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

O00148

UPID:

DX39A_HUMAN

Alternative names:

DEAD box protein 39; Nuclear RNA helicase URH49

Alternative UPACC:

O00148; B1Q2N1; Q8N5M0; Q9BVP6; Q9H5W0

Background:

ATP-dependent RNA helicase DDX39A, also known as DEAD box protein 39 and Nuclear RNA helicase URH49, plays a crucial role in pre-mRNA splicing and is essential for the export of mRNA from the nucleus. This protein's ability to unwind RNA helices is vital for the processing of mRNA, a fundamental step in gene expression.

Therapeutic significance:

Understanding the role of ATP-dependent RNA helicase DDX39A could open doors to potential therapeutic strategies. Its pivotal function in mRNA processing makes it a compelling target for research aimed at uncovering novel treatments for diseases where gene expression is disrupted.