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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P49588

UPID:

SYAC_HUMAN

Alternative names:

Alanyl-tRNA synthetase; Renal carcinoma antigen NY-REN-42

Alternative UPACC:

P49588; A6NF14; B4DR45; Q53GV7; Q96FA0

Background:

Alanine--tRNA ligase, cytoplasmic, also known as Alanyl-tRNA synthetase and Renal carcinoma antigen NY-REN-42, plays a crucial role in protein synthesis. It catalyzes the attachment of alanine to tRNA(Ala), a fundamental process for translating genetic information into functional proteins. This enzyme not only activates alanine but also ensures accuracy through its editing domain, preventing mischarged tRNA(Ala) from disrupting protein synthesis.

Therapeutic significance:

The enzyme's association with diseases such as Charcot-Marie-Tooth disease, axonal, 2N, Developmental and epileptic encephalopathy 29, Leukoencephalopathy, hereditary diffuse, with spheroids 2, and Trichothiodystrophy 8, non-photosensitive, highlights its potential as a target for therapeutic intervention. Understanding the role of Alanine--tRNA ligase, cytoplasmic could open doors to potential therapeutic strategies, offering hope for patients suffering from these debilitating conditions.