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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.
Our high-tech, dedicated method is applied to construct 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:
partner
Reaxense
upacc
P52790
UPID:
HXK3_HUMAN
Alternative names:
Hexokinase type III; Hexokinase-C
Alternative UPACC:
P52790; Q8N1E7
Background:
Hexokinase-3, also known as Hexokinase type III or Hexokinase-C, plays a pivotal role in cellular energy metabolism. It catalyzes the phosphorylation of hexoses like D-glucose and D-fructose into hexose 6-phosphate, marking the initial step of glycolysis. This enzymatic activity is crucial for converting glucose into a form that can be utilized in energy production and biosynthetic processes.
Therapeutic significance:
Understanding the role of Hexokinase-3 could open doors to potential therapeutic strategies. Its central function in glycolysis makes it a potential target for metabolic disorders and diseases where glucose metabolism is disrupted.