Focused On-demand Library for Tyrosine aminotransferase

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P17735

UPID:

ATTY_HUMAN

Alternative names:

L-tyrosine:2-oxoglutarate aminotransferase

Alternative UPACC:

P17735; B2R8I1; D3DWS2

Background:

Tyrosine aminotransferase, also known as L-tyrosine:2-oxoglutarate aminotransferase, plays a pivotal role in the breakdown of tyrosine, converting it to p-hydroxyphenylpyruvate. This enzyme not only facilitates the forward reaction but also demonstrates the capability to catalyze the reverse process in vitro, utilizing glutamic acid with 2-oxoglutarate as a cosubstrate. Despite its lower affinity and transaminase activity towards phenylalanine, its function is crucial in the metabolic pathway.

Therapeutic significance:

Tyrosine aminotransferase is directly implicated in Tyrosinemia 2, a metabolic disorder characterized by elevated tyrosine levels in blood and urine, leading to palmoplantar keratosis, painful corneal ulcers, and intellectual disability. Understanding the enzyme's role could pave the way for innovative therapeutic strategies targeting this inborn error of metabolism.