AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 sreening 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q16851

UPID:

UGPA_HUMAN

Alternative names:

UDP-glucose pyrophosphorylase

Alternative UPACC:

Q16851; Q07131; Q0P6K2; Q86Y81; Q9BU15

Background:

UTP--glucose-1-phosphate uridylyltransferase, also known as UDP-glucose pyrophosphorylase, plays a pivotal role in the biosynthesis of glycogen by catalyzing the conversion of glucose-1-phosphate into UDP-glucose. This enzyme's activity is crucial for maintaining energy storage and glucose homeostasis in cells.

Therapeutic significance:

The enzyme's link to Developmental and epileptic encephalopathy 83 (DEE83) underscores its therapeutic significance. Variants affecting the gene encoding this protein lead to severe neurological conditions, highlighting the enzyme as a potential target for therapeutic intervention to alleviate symptoms or modify disease progression in DEE83.

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