Focused On-demand Library for Kynurenine 3-monooxygenase

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.

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.

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

O15229

UPID:

KMO_HUMAN

Alternative names:

Kynurenine 3-hydroxylase

Alternative UPACC:

O15229; A2A2U8; A2A2U9; A2A2V0; Q5SY07; Q5SY08; Q5SY09

Background:

Kynurenine 3-monooxygenase, also known as Kynurenine 3-hydroxylase, plays a crucial role in the metabolism of tryptophan by catalyzing the hydroxylation of L-kynurenine to form 3-hydroxy-L-kynurenine. This enzyme is pivotal in the synthesis of quinolinic acid, a compound with neurotoxic properties that acts as an NMDA receptor antagonist, influencing brain development, synaptogenesis, and apoptosis.

Therapeutic significance:

Understanding the role of Kynurenine 3-monooxygenase could open doors to potential therapeutic strategies. Its involvement in the synthesis of quinolinic acid, which affects NMDA receptor signaling, highlights its potential impact on neurological conditions and its importance in developing treatments for diseases related to NMDA receptor dysfunction.