Focused On-demand Library for Glutathione S-transferase A4

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
O15217

UPID:
GSTA4_HUMAN

ALTERNATIVE NAMES:
GST class-alpha member 4; Glutathione S-transferase A4-4

ALTERNATIVE UPACC:
O15217; B2RD15; Q5T7Q8; Q6P4G1; Q9BX18; Q9H414

BACKGROUND:
The enzyme Glutathione S-transferase A4, also known as GST class-alpha member 4 or Glutathione S-transferase A4-4, is integral to the body's defense mechanism against toxicants. It achieves this by facilitating the conjugation of glutathione to a wide array of exogenous and endogenous compounds, particularly excelling with 4-hydroxyalkenals. Its efficiency in neutralizing 4-hydroxynonenal underscores its critical role in cellular protection mechanisms.

THERAPEUTIC SIGNIFICANCE:
The exploration of Glutathione S-transferase A4's function offers promising avenues for therapeutic intervention. Given its central role in mitigating oxidative stress and detoxifying harmful compounds, targeting GSTA4 could yield novel treatments for conditions where these processes are compromised.

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