Focused On-demand Library for Sedoheptulokinase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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
Q9UHJ6

UPID:
SHPK_HUMAN

ALTERNATIVE NAMES:
Carbohydrate kinase-like protein

ALTERNATIVE UPACC:
Q9UHJ6; B2R640; Q8WUH3

BACKGROUND:
The protein Sedoheptulokinase, alternatively known as Carbohydrate kinase-like protein, is integral to regulating glucose metabolism, thereby influencing macrophage activation. Its gene is identified by the unique identifier Q9UHJ6, highlighting its significance in metabolic processes.

THERAPEUTIC SIGNIFICANCE:
Linked to Sedoheptulokinase deficiency, a rare autosomal recessive metabolic disease, Sedoheptulokinase's dysfunction manifests in various clinical symptoms. The exploration of Sedoheptulokinase's function offers promising avenues for developing targeted therapies for affected individuals.

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