AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q16875

UPID:

F263_HUMAN

Alternative names:

6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme; Renal carcinoma antigen NY-REN-56; iPFK-2

Alternative UPACC:

Q16875; B7Z955; O43622; O75902; Q5VX15; Q5VX18; Q5VX19

Background:

The 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, known by alternative names such as 6PF-2-K/Fru-2,6-P2ase brain/placenta-type isozyme and Renal carcinoma antigen NY-REN-56, plays a pivotal role in glucose metabolism. It catalyzes the synthesis and degradation of fructose 2,6-bisphosphate, a key regulator of glycolysis and gluconeogenesis.

Therapeutic significance:

Understanding the role of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 could open doors to potential therapeutic strategies.

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