AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Polypeptide N-acetylgalactosaminyltransferase 18

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.

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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q6P9A2

UPID:

GLT18_HUMAN

Alternative names:

Polypeptide GalNAc transferase 18; Polypeptide GalNAc transferase-like protein 4; Polypeptide N-acetylgalactosaminyltransferase-like protein 4; Protein-UDP acetylgalactosaminyltransferase-like protein 4; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase-like protein 4

Alternative UPACC:

Q6P9A2; O95903; Q8NDY9

Background:

Polypeptide N-acetylgalactosaminyltransferase 18, known by alternative names such as Polypeptide GalNAc transferase 18 and UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase-like protein 4, plays a crucial role in the biosynthesis of O-linked oligosaccharides. It catalyzes the transfer of an N-acetyl-D-galactosamine residue to serine or threonine residues on protein receptors, marking the initial step in this essential cellular process.

Therapeutic significance:

Understanding the role of Polypeptide N-acetylgalactosaminyltransferase 18 could open doors to potential therapeutic strategies.

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