Focused On-demand Library for Glutathione S-transferase A5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 use our state-of-the-art dedicated workflow for designing focused 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.

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

Q7RTV2

UPID:

GSTA5_HUMAN

Alternative names:

GST class-alpha member 5; Glutathione S-transferase A5-5

Alternative UPACC:

Q7RTV2; Q5SZC2

Background:

Glutathione S-transferase A5 (GSTA5) is a crucial enzyme in the detoxification process, known for its role in catalyzing the conjugation of glutathione to various endogenous and exogenous compounds. This protein, with alternative names such as GST class-alpha member 5 and Glutathione S-transferase A5-5, plays a significant role in cellular defense mechanisms against toxicants and oxidative stress.

Therapeutic significance:

Understanding the role of Glutathione S-transferase A5 could open doors to potential therapeutic strategies. Its involvement in detoxification and protection against oxidative damage highlights its potential as a target for enhancing drug efficacy and mitigating drug-induced toxicity.