AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ADP-dependent glucokinase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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:

  • 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

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.

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