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 top-notch dedicated system is used to design specialised 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P52789
UPID:
HXK2_HUMAN
Alternative names:
Hexokinase type II; Hexokinase-B; Muscle form hexokinase
Alternative UPACC:
P52789; D6W5J2; Q8WU87; Q9UN82
Background:
Hexokinase-2, also known as Hexokinase type II, Hexokinase-B, and Muscle form hexokinase, is pivotal in glucose metabolism. It catalyzes the phosphorylation of hexoses like D-glucose and D-fructose into their 6-phosphate forms, marking the commencement of glycolysis. Additionally, it plays a crucial role in maintaining the outer mitochondrial membrane's integrity, thereby preventing apoptosis by inhibiting the release of apoptogenic molecules.
Therapeutic significance:
Understanding the role of Hexokinase-2 could open doors to potential therapeutic strategies.