Focused On-demand Library for Kynurenine formamidase

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.

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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q63HM1

UPID:

KFA_HUMAN

Alternative names:

Arylformamidase; N-formylkynurenine formamidase

Alternative UPACC:

Q63HM1; A2RUB3

Background:

Kynurenine formamidase, also known as Arylformamidase or N-formylkynurenine formamidase, plays a crucial role in the kynurenine pathway of tryptophan degradation. It catalyzes the hydrolysis of N-formyl-L-kynurenine to L-kynurenine, a pivotal step in the conversion of tryptophan into nicotinic acid, NAD(H), and NADP(H). This process is essential for the elimination of toxic metabolites and the maintenance of cellular health.

Therapeutic significance:

Understanding the role of Kynurenine formamidase could open doors to potential therapeutic strategies. Its involvement in the kynurenine pathway, a critical process for cellular metabolism and detoxification, highlights its potential as a target for therapeutic intervention in conditions related to metabolic imbalances.