AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P08237

UPID:

PFKAM_HUMAN

Alternative names:

6-phosphofructokinase type A; Phosphofructo-1-kinase isozyme A; Phosphohexokinase

Alternative UPACC:

P08237; J3KNX3; Q16814; Q16815; Q6ZTT1

Background:

ATP-dependent 6-phosphofructokinase, muscle type, also known as 6-phosphofructokinase type A, plays a pivotal role in glycolysis. It catalyzes the transformation of D-fructose 6-phosphate into fructose 1,6-bisphosphate, a key step in the metabolic pathway that generates energy from glucose.

Therapeutic significance:

This enzyme's malfunction is linked to Glycogen storage disease 7, characterized by exercise intolerance, muscle cramping, and myoglobinuria. Understanding its function could lead to novel treatments for this metabolic disorder.

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