Focused On-demand Library for Glycine--tRNA ligase

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P41250

UPID:

GARS_HUMAN

Alternative names:

Diadenosine tetraphosphate synthetase; Glycyl-tRNA synthetase; Glycyl-tRNA synthetase 1

Alternative UPACC:

P41250; A0A090N8G0; B3KQA2; B4DIA0; Q969Y1

Background:

Glycine--tRNA ligase, also known as Glycyl-tRNA synthetase and Diadenosine tetraphosphate synthetase, plays a crucial role in protein synthesis by catalyzing the ATP-dependent ligation of glycine to its cognate tRNA. It also contributes to cellular regulation through the production of diadenosine tetraphosphate (Ap4A), a signaling molecule involved in various cell pathways.

Therapeutic significance:

The protein is implicated in several neuromuscular disorders, including Charcot-Marie-Tooth disease, axonal, 2D, Neuronopathy, distal hereditary motor, 5A, and Spinal muscular atrophy, infantile, James type. These associations highlight its potential as a target for therapeutic intervention in these debilitating conditions.