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

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

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:

Galactose-1-phosphate uridylyltransferase, also known as UDP-glucose--hexose-1-phosphate uridylyltransferase, plays a pivotal role in galactose metabolism. This enzyme's function is crucial for converting galactose into glucose-1-phosphate, thereby preventing the accumulation of galactose in the body, which can lead to toxic effects.

Therapeutic significance:

Galactosemia 1, a severe metabolic disorder, is directly linked to mutations in the gene encoding Galactose-1-phosphate uridylyltransferase. Understanding the enzyme's role could pave the way for developing targeted therapies to manage or cure Galactosemia 1, offering hope to affected individuals.