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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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
P11413
UPID:
G6PD_HUMAN
Alternative names:
-
Alternative UPACC:
P11413; D3DWX9; Q16000; Q16765; Q8IU70; Q8IU88; Q8IUA6; Q96PQ2
Background:
Glucose-6-phosphate 1-dehydrogenase plays a pivotal role in cellular metabolism by catalyzing the first step in the oxidative pentose-phosphate pathway. This enzyme is crucial for producing NADPH and pentose phosphates, essential for fatty acid and nucleic acid synthesis.
Therapeutic significance:
The enzyme's deficiency leads to non-spherocytic hemolytic anemia due to G6PD deficiency, characterized by acute hemolytic anemia, fatigue, and jaundice. Understanding the enzyme's role could pave the way for innovative treatments for this condition, which varies from asymptomatic to life-threatening, depending on the genetic variant.