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.
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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O00764
UPID:
PDXK_HUMAN
Alternative names:
Pyridoxine kinase
Alternative UPACC:
O00764; Q7Z2Y0; Q9BS02
Background:
Pyridoxal kinase, also known as Pyridoxine kinase, plays a crucial role in vitamin B6 metabolism. It catalyzes the phosphorylation of vitamin B6 vitamers, converting them into their active phosphate forms, essential for over 140 enzymatic reactions.
Therapeutic significance:
The protein is linked to Neuropathy, hereditary motor and sensory, 6C, with optic atrophy, a disorder marked by progressive muscle weakness and visual impairment. Understanding Pyridoxal kinase's role could unveil new therapeutic strategies for this condition.