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

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P09467

UPID:

F16P1_HUMAN

Alternative names:

D-fructose-1,6-bisphosphate 1-phosphohydrolase 1; Liver FBPase

Alternative UPACC:

P09467; O75571; Q53F94; Q96E46

Background:

Fructose-1,6-bisphosphatase 1, known alternatively as D-fructose-1,6-bisphosphate 1-phosphohydrolase 1 or Liver FBPase, is pivotal in gluconeogenesis. It catalyzes the conversion of fructose 1,6-bisphosphate to fructose 6-phosphate, a key step in glucose production from non-carbohydrate sources. This enzyme's activity is essential for maintaining blood glucose levels during fasting. It also influences insulin secretion, glycerol conversion in the liver, and plays a crucial role in appetite regulation and body weight management by modulating satiety hormones.

Therapeutic significance:

Fructose-1,6-bisphosphatase deficiency, a metabolic disorder resulting from gene variants affecting this enzyme, underscores its clinical importance. This condition manifests with hypoglycemia and metabolic acidosis, potentially lethal in infants and young children. Understanding the enzyme's role could lead to innovative treatments for this deficiency and contribute to managing diabetes and obesity by influencing glucose metabolism and appetite regulation.