AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ATP-dependent 6-phosphofructokinase, liver type

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

We utilise our cutting-edge, exclusive workflow to develop 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.

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