AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glucosamine-6-phosphate isomerase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P46926

UPID:

GNPI1_HUMAN

Alternative names:

Glucosamine-6-phosphate deaminase 1; Oscillin

Alternative UPACC:

P46926; B7Z3X4; D3DQE7

Background:

Glucosamine-6-phosphate isomerase 1, also known as Glucosamine-6-phosphate deaminase 1 or Oscillin, plays a pivotal role in the hexosamine pathway by catalyzing the conversion of alpha-D-glucosamine 6-phosphate into beta-D-fructose 6-phosphate. This enzyme is essential for the biosynthesis of uridine diphosphate-N-acetyl-alpha-D-glucosamine, a key precursor in the production of glycosaminoglycans and glycoproteins. Its activity is crucial for regulating metabolic fluxes towards the synthesis of these critical biomolecules.

Therapeutic significance:

Understanding the role of Glucosamine-6-phosphate isomerase 1 could open doors to potential therapeutic strategies. Its involvement in the metabolic pathways that govern the synthesis of vital cellular components underscores its potential as a target for interventions aimed at modulating these processes for therapeutic benefit.

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