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

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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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