Focused On-demand Library for Galactose mutarotase

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening 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.

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.







Alternative names:

Aldose 1-epimerase

Alternative UPACC:

Q96C23; Q53RY1; Q8NIA2; V9HWA8


Galactose mutarotase, also known as Aldose 1-epimerase, plays a crucial role in galactose metabolism by catalyzing the interconversion of beta-D-galactose and alpha-D-galactose. This enzyme is a key component of the Leloir pathway, which is essential for converting galactose into glucose 1-phosphate, a primary metabolic fuel. Its activity ensures a steady supply of alpha-anomer galactose for further processing by galactokinase.

Therapeutic significance:

Galactose mutarotase's involvement in Galactosemia 4, an autosomal recessive disorder characterized by a spectrum of symptoms including jaundice and cataract, underscores its therapeutic potential. Understanding the role of Galactose mutarotase could open doors to potential therapeutic strategies for managing this metabolic condition.

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