AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutaminyl-peptide cyclotransferase

Available from Reaxense
Predicted by Alphafold

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q16769

UPID:

QPCT_HUMAN

Alternative names:

Glutaminyl cyclase; Glutaminyl-tRNA cyclotransferase; Glutamyl cyclase

Alternative UPACC:

Q16769; Q16770; Q3KRG6; Q53TR4

Background:

Glutaminyl-peptide cyclotransferase, also known as Glutaminyl cyclase, plays a pivotal role in the biosynthesis of pyroglutamyl peptides. It exhibits specificity by favoring substrates that do not have acidic or tryptophan residues adjacent to the N-terminal glutaminyl residue. This enzyme is crucial for the formation of N-terminal pyroglutamate, a modification observed in various peptides, including those involved in amyloid plaque formation.

Therapeutic significance:

Understanding the role of Glutaminyl-peptide cyclotransferase could open doors to potential therapeutic strategies. Its involvement in the modification of peptides related to amyloid plaques highlights its significance in neurodegenerative diseases. Targeting this enzyme could offer a novel approach to modulate disease-associated peptide formation.

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