Focused On-demand Library for Lysine--tRNA ligase

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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
Q15046

UPID:
SYK_HUMAN

ALTERNATIVE NAMES:
Lysyl-tRNA synthetase

ALTERNATIVE UPACC:
Q15046; A8MSK1; D3DUK4; O14946; Q96J25; Q9HB23

BACKGROUND:
The enzyme Lysyl-tRNA synthetase, or Lysine--tRNA ligase, is pivotal in the translation process, ensuring the precise attachment of lysine to tRNA. It extends its function to immune modulation and transcriptional regulation via diadenosine tetraphosphate synthesis. Its role in HIV-1 replication through interaction with the GAG protein underscores its importance in viral life cycles.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Lysyl-tRNA synthetase could open doors to potential therapeutic strategies. Its involvement in diseases like Charcot-Marie-Tooth, autosomal recessive deafness, and leukoencephalopathy positions it as a key target for developing treatments aimed at these genetic and neurodegenerative conditions.

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