Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
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.