AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

P41252

UPID:

SYIC_HUMAN

Alternative names:

Isoleucyl-tRNA synthetase

Alternative UPACC:

P41252; A8KAE9; Q5TCD0; Q7Z3T4; Q9H588

Background:

Isoleucine--tRNA ligase, cytoplasmic, also known as Isoleucyl-tRNA synthetase, plays a crucial role in protein synthesis. It catalyzes the attachment of isoleucine to its cognate tRNA, a fundamental process for accurate translation of the genetic code into functional proteins. This enzyme's activity ensures the fidelity and efficiency of protein production, vital for cellular health and function.

Therapeutic significance:

The enzyme is linked to Growth retardation, impaired intellectual development, hypotonia, and hepatopathy, a disorder stemming from gene variants affecting its function. Understanding the role of Isoleucine--tRNA ligase, cytoplasmic could open doors to potential therapeutic strategies, offering hope for treating this severe autosomal recessive disorder.

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