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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
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.