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 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P17858
UPID:
PFKAL_HUMAN
Alternative names:
6-phosphofructokinase type B; Phosphofructo-1-kinase isozyme B; Phosphohexokinase
Alternative UPACC:
P17858; Q96A64; Q96IH4; Q9BR91
Background:
ATP-dependent 6-phosphofructokinase, liver type (P17858), also known as 6-phosphofructokinase type B, plays a pivotal role in glycolysis by catalyzing the phosphorylation of D-fructose 6-phosphate. This enzyme is crucial for energy production and metabolic regulation, particularly in the liver. It also influences the immune response by modulating the oxidative burst in phagocytes and driving metabolic shifts towards glycolysis upon macrophage activation.
Therapeutic significance:
Understanding the role of ATP-dependent 6-phosphofructokinase, liver type, could open doors to potential therapeutic strategies. Its involvement in key metabolic pathways and immune response regulation highlights its potential as a target for metabolic and inflammatory disorders.