Focused On-demand Library for Lariat debranching enzyme

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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.

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

Q9UK59

UPID:

DBR1_HUMAN

Alternative names:

Alternative UPACC:

Q9UK59; Q96GH0; Q9NXQ6

Background:

The Lariat debranching enzyme plays a pivotal role in RNA processing, specifically in the cleavage of 2'-5' phosphodiester linkages at the branch points of excised lariat intron RNA. This action converts them into linear molecules for degradation, facilitating ribonucleotide turnover. Its involvement in pre-mRNA processing and potential participation in retrovirus replication highlights its critical function in cellular mechanisms.

Therapeutic significance:

Given its association with increased susceptibility to viral encephalitis, including severe infections by herpes simplex virus-1 and influenza B virus, the Lariat debranching enzyme represents a promising target for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies, especially for conditions affecting the brainstem.