Focused On-demand Library for Glutamine--tRNA ligase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P47897

UPID:

SYQ_HUMAN

Alternative names:

Glutaminyl-tRNA synthetase

Alternative UPACC:

P47897; B4DWJ2

Background:

Glutamine--tRNA ligase, also known as Glutaminyl-tRNA synthetase, is a pivotal enzyme in protein synthesis, linking glutamine to its corresponding tRNA. Its role extends beyond the ribosome, playing a critical part in brain development, as evidenced by research findings (PubMed:24656866).

Therapeutic significance:

This enzyme is directly associated with Microcephaly, progressive, with seizures and cerebral and cerebellar atrophy, a severe neurodevelopmental disorder. The disease's link to variants affecting the gene encoding Glutamine--tRNA ligase underscores the protein's potential as a target for therapeutic intervention.