Focused On-demand Library for Glucose-6-phosphate 1-dehydrogenase

Focused On-demand Libraries - Receptor.AI Collaboration


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.


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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P11413

UPID:
G6PD_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P11413; D3DWX9; Q16000; Q16765; Q8IU70; Q8IU88; Q8IUA6; Q96PQ2

BACKGROUND:
Glucose-6-phosphate 1-dehydrogenase is key in the oxidative pentose-phosphate pathway, providing reducing power (NADPH) and pentose phosphates for biosynthesis processes. Its activity is critical for maintaining cellular redox balance.

THERAPEUTIC SIGNIFICANCE:
Deficiency in this enzyme triggers non-spherocytic hemolytic anemia, marked by acute hemolytic attacks and increased risk in regions where malaria is endemic. Exploring the enzyme's function offers a gateway to developing targeted therapies for those affected by its deficiency.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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