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

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.

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

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

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.