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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P56192

UPID:

SYMC_HUMAN

Alternative names:

Methionyl-tRNA synthetase

Alternative UPACC:

P56192; B3KVK7; Q14895; Q53H14; Q96A15; Q96BZ0; Q9NSE0

Background:

Methionine--tRNA ligase, cytoplasmic, also known as Methionyl-tRNA synthetase, plays a crucial role in protein synthesis. It catalyzes the attachment of methionine to its cognate tRNA, a fundamental step in the initiation of protein synthesis. This enzyme's activity is essential for the accurate translation of mRNA into functional proteins, highlighting its significance in cellular biology.

Therapeutic significance:

The enzyme's association with diseases such as Interstitial lung and liver disease, Charcot-Marie-Tooth disease, axonal, 2U, and Trichothiodystrophy 9, non-photosensitive, underscores its potential as a therapeutic target. Understanding the role of Methionine--tRNA ligase, cytoplasmic could open doors to potential therapeutic strategies, offering hope for treatments targeting these complex disorders.