Focused On-demand Library for Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial

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.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q8N5Z0

UPID:

AADAT_HUMAN

Alternative names:

2-aminoadipate aminotransferase; 2-aminoadipate transaminase; Alpha-aminoadipate aminotransferase; Glycine transaminase AADAT; Kynurenine aminotransferase II; Kynurenine--glyoxylate transaminase AADAT; Kynurenine--oxoglutarate aminotransferase II; Kynurenine--oxoglutarate transaminase 2; Kynurenine--oxoglutarate transaminase II; Methionine--glyoxylate transaminase AADAT

Alternative UPACC:

Q8N5Z0; B3KP84; Q9UL02

Background:

Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, known by alternative names such as 2-aminoadipate aminotransferase and Kynurenine--oxoglutarate transaminase 2, plays a pivotal role in amino acid metabolism. It exhibits broad substrate specificity, engaging in the transamination of aminoadipate, kynurenine, methionine, glutamate, and several other amino acids. This enzyme's preference for oxo-acids as amino-group acceptors underscores its versatility in biochemical pathways.

Therapeutic significance:

Understanding the role of Kynurenine/alpha-aminoadipate aminotransferase could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways highlights its potential as a target for drug discovery, aiming to modulate metabolic disorders and diseases linked to amino acid metabolism.