Focused On-demand Library for Alanine aminotransferase 2

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.

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.

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

Q8TD30

UPID:

ALAT2_HUMAN

Alternative names:

Glutamate pyruvate transaminase 2; Glutamic--alanine transaminase 2; Glutamic--pyruvic transaminase 2

Alternative UPACC:

Q8TD30; Q8N9E2

Background:

Alanine aminotransferase 2, also known as Glutamate pyruvate transaminase 2, plays a crucial role in amino acid metabolism by catalyzing the reversible transamination between alanine and 2-oxoglutarate to form pyruvate and glutamate. This enzyme's activity is pivotal in the alanine cycle, which helps in the metabolism of glucose and amino acids.

Therapeutic significance:

The enzyme's association with Neurodevelopmental disorder with spastic paraplegia and microcephaly underscores its potential as a therapeutic target. Understanding the role of Alanine aminotransferase 2 could open doors to potential therapeutic strategies for treating this severe syndrome, characterized by developmental delays and intellectual challenges.