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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9UHJ6
UPID:
SHPK_HUMAN
Alternative names:
Carbohydrate kinase-like protein
Alternative UPACC:
Q9UHJ6; B2R640; Q8WUH3
Background:
Sedoheptulokinase, also known as Carbohydrate kinase-like protein, plays a crucial role in cellular metabolism by modulating macrophage activation via glucose metabolism control. This protein, encoded by the gene with the accession number Q9UHJ6, is pivotal in the biochemical pathways that maintain cellular energy balance.
Therapeutic significance:
Sedoheptulokinase deficiency, a metabolic disorder characterized by symptoms such as neonatal cholestasis, hypoglycemia, and anemia, is directly linked to mutations in the sedoheptulokinase gene. Understanding the role of Sedoheptulokinase could open doors to potential therapeutic strategies for this condition.