Focused On-demand Library for Threonine--tRNA ligase 1, cytoplasmic

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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P26639

UPID:

SYTC_HUMAN

Alternative names:

Threonyl-tRNA synthetase; Threonyl-tRNA synthetase 1

Alternative UPACC:

P26639; A8K8I1; B4DEG8; Q96FP5; Q9BWA6

Background:

Threonine--tRNA ligase 1, cytoplasmic, also known as Threonyl-tRNA synthetase, plays a crucial role in protein synthesis. It catalyzes the attachment of threonine to tRNA(Thr), a fundamental process for accurate translation of the genetic code into proteins. This enzyme ensures the fidelity of protein synthesis through its editing domain, correcting mischarged tRNA(Thr).

Therapeutic significance:

Trichothiodystrophy 7, a condition marked by brittle hair and multisystem abnormalities, is linked to mutations in the gene encoding Threonine--tRNA ligase 1. Understanding the role of Threonine--tRNA ligase 1 could open doors to potential therapeutic strategies for this autosomal recessive disorder.