Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P35790
UPID:
CHKA_HUMAN
Alternative names:
CHETK-alpha; Ethanolamine kinase
Alternative UPACC:
P35790; Q8NE29
Background:
Choline kinase alpha (CHKA), also known as CHETK-alpha and Ethanolamine kinase, is pivotal in phospholipid biosynthesis. It catalyzes the phosphorylation of choline to phosphocholine, a critical step in phosphatidylcholine production. CHKA also contributes to phosphatidylethanolamine biosynthesis by phosphorylating ethanolamine. Its activity is notably higher with choline. Furthermore, CHKA plays a significant role in lipolysis of lipid droplets under glucose deprivation, indicating its involvement in cellular energy management.
Therapeutic significance:
CHKA is linked to a neurodevelopmental disorder characterized by severe developmental delay, microcephaly, and seizures. This association underscores its potential as a target for therapeutic intervention in genetic disorders affecting neurodevelopment. Understanding the role of Choline kinase alpha could open doors to potential therapeutic strategies.