Focused On-demand Library for Leucine--tRNA ligase, cytoplasmic

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 use our state-of-the-art dedicated workflow for designing 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.

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

Q9P2J5

UPID:

SYLC_HUMAN

Alternative names:

Leucyl-tRNA synthetase

Alternative UPACC:

Q9P2J5; A2RRR4; A7E266; B4DJ10; Q2TU79; Q9NSE1

Background:

Leucine--tRNA ligase, also known as Leucyl-tRNA synthetase, plays a pivotal role in protein synthesis. It catalyzes the attachment of leucine to its cognate tRNA, a critical step for accurate translation and protein production. This enzyme ensures the fidelity of the amino acid incorporation into proteins, showcasing a remarkable ability to correct mistakes by hydrolyzing mischarged tRNAs.

Therapeutic significance:

Leucine--tRNA ligase's malfunction is linked to Infantile liver failure syndrome 1, a severe condition marked by acute liver failure early in life. This association highlights the enzyme's essential role beyond protein synthesis, implicating it in liver health and development. Targeting this enzyme could offer novel therapeutic avenues for treating liver-related disorders.