AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glucosamine 6-phosphate N-acetyltransferase

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.

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.

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Reaxense

upacc

Q96EK6

UPID:

GNA1_HUMAN

Alternative names:

Phosphoglucosamine acetylase; Phosphoglucosamine transacetylase

Alternative UPACC:

Q96EK6

Background:

Glucosamine 6-phosphate N-acetyltransferase, also known as Phosphoglucosamine acetylase or Phosphoglucosamine transacetylase, plays a crucial role in amino sugar metabolism. This enzyme catalyzes the transfer of an acetyl group to glucosamine 6-phosphate, a key step in the biosynthesis of uridine diphosphate N-acetylglucosamine (UDP-GlcNAc), an essential molecule for various cellular processes.

Therapeutic significance:

The enzyme's link to Rhizomelic dysplasia, Ain-Naz type, a skeletal dysplasia with significant morbidity, highlights its potential as a therapeutic target. Understanding the role of Glucosamine 6-phosphate N-acetyltransferase could open doors to potential therapeutic strategies for managing and treating this rare condition.

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