Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
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.