Focused On-demand Library for Galactose-1-phosphate uridylyltransferase

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P07902

UPID:
GALT_HUMAN

ALTERNATIVE NAMES:
UDP-glucose--hexose-1-phosphate uridylyltransferase

ALTERNATIVE UPACC:
P07902; B4E097; E7ET32; Q14355; Q14356; Q14357; Q14358; Q14359; Q14360; Q14361; Q14363; Q14364; Q14365; Q14369; Q14370; Q14371; Q14372; Q14373; Q14374; Q14375; Q14377; Q14378; Q14380; Q14381; Q14382; Q14383; Q14384; Q14385; Q14386; Q14387; Q14389; Q16766; Q53XK1; Q5VZ81; Q96BY1

BACKGROUND:
The enzyme Galactose-1-phosphate uridylyltransferase, with alternative names including UDP-glucose--hexose-1-phosphate uridylyltransferase, is essential for the healthy metabolism of galactose, a sugar found in milk and other foods. Its activity is critical for converting galactose into a form that can be easily utilized or stored by the body.

THERAPEUTIC SIGNIFICANCE:
Given its central role in galactose metabolism, mutations affecting Galactose-1-phosphate uridylyltransferase are responsible for Galactosemia 1. This condition underscores the enzyme's potential as a target for therapeutic intervention, highlighting the importance of research into its function and regulation.

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