Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BRR6
UPID:
ADPGK_HUMAN
Alternative names:
RbBP-35
Alternative UPACC:
Q9BRR6; Q49AU7; Q8NBI1; Q8WZ90; Q96NF8; Q9H0A7
Background:
ADP-dependent glucokinase, also known as RbBP-35, plays a crucial role in glucose metabolism by catalyzing the phosphorylation of D-glucose to D-glucose 6-phosphate, primarily using ADP as the phosphate donor. Its ability to also utilize GDP and CDP, albeit with reduced efficiency, highlights its versatility in cellular energy management.
Therapeutic significance:
Understanding the role of ADP-dependent glucokinase could open doors to potential therapeutic strategies. Its pivotal function in glucose metabolism makes it a compelling target for addressing metabolic disorders and enhancing our arsenal against diseases linked to glucose regulation.