Focused On-demand Library for UTP--glucose-1-phosphate uridylyltransferase

Focused On-demand Libraries - Receptor.AI Collaboration


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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q16851

UPID:
UGPA_HUMAN

ALTERNATIVE NAMES:
UDP-glucose pyrophosphorylase

ALTERNATIVE UPACC:
Q16851; Q07131; Q0P6K2; Q86Y81; Q9BU15

BACKGROUND:
The enzyme UTP--glucose-1-phosphate uridylyltransferase, known alternatively as UDP-glucose pyrophosphorylase, is essential for glycogen production, converting glucose-1-phosphate into UDP-glucose. This process is vital for energy storage and regulation within the cell.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of UTP--glucose-1-phosphate uridylyltransferase could open doors to potential therapeutic strategies. Its involvement in Developmental and epileptic encephalopathy 83 (DEE83) through gene variants affecting its expression makes it a key target for research aimed at finding treatments for this and potentially other related neurological disorders.

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