Focused On-demand Library for Spliceosome RNA helicase DDX39B

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

Q13838

UPID:

DX39B_HUMAN

Alternative names:

56 kDa U2AF65-associated protein; ATP-dependent RNA helicase p47; DEAD box protein UAP56; HLA-B-associated transcript 1 protein

Alternative UPACC:

Q13838; B0S8C0; O43496; Q0EFA1; Q2L6F9; Q53GL9; Q5RJ64; Q5RJ66; Q5ST94; Q5STB4; Q5STB5; Q5STB7; Q5STB8; Q5STU4; Q5STU5; Q5STU6; Q5STU8; Q71V76

Background:

Spliceosome RNA helicase DDX39B, also known as 56 kDa U2AF65-associated protein, ATP-dependent RNA helicase p47, DEAD box protein UAP56, and HLA-B-associated transcript 1 protein, plays a pivotal role in mRNA processing. It is a key component of the TREX complex, facilitating the nuclear export of spliced and unspliced mRNA. DDX39B is involved in various stages of mRNA maturation, including spliceosome assembly and the interaction of U2 snRNP with the branchpoint. Its ATPase activity, essential for these processes, is stimulated by RNA.

Therapeutic significance:

Understanding the role of Spliceosome RNA helicase DDX39B could open doors to potential therapeutic strategies.