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

Details

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Receptor.AI
 
UPACC
Q9P2J5

UPID:
SYLC_HUMAN

ALTERNATIVE NAMES:
Leucyl-tRNA synthetase

ALTERNATIVE UPACC:
Q9P2J5; A2RRR4; A7E266; B4DJ10; Q2TU79; Q9NSE1

BACKGROUND:
The enzyme Leucyl-tRNA synthetase, with its alternative name Leucine--tRNA ligase, is crucial for the synthesis of proteins. It activates leucine and attaches it to tRNA, a fundamental process for the translation of genetic information into functional proteins. Its editing function prevents errors in protein synthesis, ensuring cellular health and proper function.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Leucine--tRNA ligase could open doors to potential therapeutic strategies. Its direct involvement in Infantile liver failure syndrome 1 underscores its importance in metabolic and developmental processes. Exploring its functions and mechanisms may lead to breakthroughs in treating or managing liver diseases and developmental disorders.

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