Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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:
partner
Reaxense
upacc
P51570
UPID:
GALK1_HUMAN
Alternative names:
Galactose kinase
Alternative UPACC:
P51570; B2RC07; B4E1G6
Background:
Galactokinase, encoded by the gene with accession number P51570, plays a pivotal role in galactose metabolism. It catalyzes the phosphorylation of alpha-D-galactose to galactose-1-phosphate, a critical step in the catabolism of galactose. This enzyme's activity is essential for the effective utilization and detoxification of galactose in the human body.
Therapeutic significance:
Galactokinase deficiency leads to Galactosemia 2, a metabolic disorder characterized by jaundice, hepatosplenomegaly, and cataracts, among other symptoms. This condition underscores the enzyme's crucial role in metabolic health and highlights the potential for targeted therapies to correct its deficiency.