Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q01813
UPID:
PFKAP_HUMAN
Alternative names:
6-phosphofructokinase type C; Phosphofructo-1-kinase isozyme C; Phosphohexokinase
Alternative UPACC:
Q01813; B3KS15; Q5VSR7; Q5VSR8
Background:
ATP-dependent 6-phosphofructokinase, platelet type, also known as 6-phosphofructokinase type C, Phosphofructo-1-kinase isozyme C, and Phosphohexokinase, plays a pivotal role in glycolysis. It catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, marking the first committing step of this metabolic pathway.
Therapeutic significance:
Understanding the role of ATP-dependent 6-phosphofructokinase, platelet type, could open doors to potential therapeutic strategies. Its critical function in glycolysis suggests its importance in metabolic diseases and disorders related to energy production and utilization.