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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.