Focused On-demand Library for Leukotriene C4 synthase

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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

Q16873

UPID:

LTC4S_HUMAN

Alternative names:

Glutathione S-transferase LTC4; Leukotriene-C(4) synthase; Leukotriene-C4 synthase

Alternative UPACC:

Q16873; Q8N6P0; Q9UC73; Q9UD18

Background:

Leukotriene C4 synthase, also known as Glutathione S-transferase LTC4, plays a pivotal role in the biosynthesis of leukotriene C4 from leukotriene A4 and glutathione. This enzyme exhibits high specificity in its catalytic activity, as evidenced by its ability to also catalyze the formation of maresin conjugate in tissue regeneration 1 (MCTR1), a lipid mediator with significant anti-inflammatory and proresolving properties.

Therapeutic significance:

Understanding the role of Leukotriene C4 synthase could open doors to potential therapeutic strategies. Its involvement in the production of bioactive lipid mediators highlights its potential as a target for developing treatments aimed at modulating inflammatory responses and facilitating tissue regeneration.