Focused On-demand Library for Fructose-1,6-bisphosphatase 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
P09467

UPID:
F16P1_HUMAN

ALTERNATIVE NAMES:
D-fructose-1,6-bisphosphate 1-phosphohydrolase 1; Liver FBPase

ALTERNATIVE UPACC:
P09467; O75571; Q53F94; Q96E46

BACKGROUND:
The enzyme Fructose-1,6-bisphosphatase 1, also referred to as Liver FBPase, plays a critical role in gluconeogenesis by hydrolyzing fructose 1,6-bisphosphate to fructose 6-phosphate. Its function is crucial for glucose production from non-carbohydrate substrates, especially during periods of fasting. Beyond its central metabolic function, this enzyme is involved in regulating insulin secretion, glycerol conversion in the liver, and body weight by affecting satiety hormone levels and appetite-stimulating neuropeptides.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Fructose-1,6-bisphosphatase deficiency, a disorder characterized by severe metabolic complications, the enzyme represents a significant target for therapeutic intervention. The disease's link to gene variants affecting the enzyme highlights the potential for genetic therapies or enzyme replacement strategies. Moreover, targeting this enzyme could offer new avenues for diabetes and obesity treatments by influencing glucose metabolism and appetite regulation.

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