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.
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 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 high-tech, dedicated method is applied to construct 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9NVS9
UPID:
PNPO_HUMAN
Alternative names:
Pyridoxamine-phosphate oxidase
Alternative UPACC:
Q9NVS9; B4E0V0; B4E152; B4E1D7; D3DTT9
Background:
Pyridoxine-5'-phosphate oxidase, also known as Pyridoxamine-phosphate oxidase, plays a crucial role in the metabolism of vitamin B6. It catalyzes the conversion of pyridoxine 5'-phosphate (PNP) and pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP), a vital coenzyme in various enzymatic reactions.
Therapeutic significance:
The enzyme's deficiency leads to Pyridoxine-5'-phosphate oxidase deficiency, a severe neonatal epileptic encephalopathy. This condition, resistant to conventional anticonvulsants, highlights the enzyme's critical role in neurological health and underscores the potential for targeted therapeutic strategies.