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

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 utilise our cutting-edge, exclusive workflow to develop 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P49589

UPID:
SYCC_HUMAN

ALTERNATIVE NAMES:
Cysteinyl-tRNA synthetase

ALTERNATIVE UPACC:
P49589; Q53XI8; Q5HYE4; Q9HD24; Q9HD25

BACKGROUND:
Cysteine--tRNA ligase, a key enzyme in the translation of genetic code into proteins, catalyzes the attachment of cysteine to its corresponding tRNA molecule. This action is vital for the synthesis of proteins necessary for cellular function and health.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Cysteine--tRNA ligase could open doors to potential therapeutic strategies. Its direct involvement in Microcephaly, developmental delay, and brittle hair syndrome underscores the enzyme's importance in neurological development and integrity, offering a promising target for drug discovery.

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