Focused On-demand Library for Fructose-2,6-bisphosphatase TIGAR

Focused On-demand Libraries - Reaxense 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 our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NQ88

UPID:

TIGAR_HUMAN

Alternative names:

TP53-induced glycolysis and apoptosis regulator; TP53-induced glycolysis regulatory phosphatase

Alternative UPACC:

Q9NQ88; B2R840

Background:

Fructose-2,6-bisphosphatase TIGAR, identified by its alternative names TP53-induced glycolysis and apoptosis regulator and TP53-induced glycolysis regulatory phosphatase, plays a pivotal role in cellular metabolism. It hydrolyzes fructose-2,6-bisphosphate and fructose-1,6-bisphosphate, acting as a negative regulator of glycolysis. This action facilitates the activation of the pentose phosphate pathway (PPP), leading to NADPH production and a reduction in intracellular reactive oxygen species (ROS). TIGAR's function extends to protecting cells from oxidative or metabolic stress-induced cell death, promoting survival during hypoxia, and supporting adult intestinal regeneration and neuroprotection against ischemic brain damage.

Therapeutic significance:

Understanding the role of Fructose-2,6-bisphosphatase TIGAR could open doors to potential therapeutic strategies. Its involvement in reducing intracellular ROS levels, protecting against cell death, and promoting DNA repair highlights its potential as a target in treating oxidative stress-related conditions, ischemic injuries, and enhancing cancer cell survival through metabolic modulation.