AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96IV0

UPID:

NGLY1_HUMAN

Alternative names:

N-glycanase 1; Peptide:N-glycanase

Alternative UPACC:

Q96IV0; B4DJE9; Q59FB1; Q6PJD8; Q9BVR8; Q9NR70

Background:

Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase, also known as N-glycanase 1, plays a crucial role in cellular homeostasis by deglycosylating denatured N-linked glycoproteins in the cytoplasm. This process aids in their proteasome-mediated degradation, targeting misfolded proteins for destruction while sparing native proteins. Its preference for proteins with high-mannose over complex type oligosaccharides underscores its specificity in cellular processes.

Therapeutic significance:

The association of Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase with Congenital disorder of deglycosylation 1, a multisystem disorder marked by developmental delay and liver dysfunction, highlights its therapeutic potential. Understanding its role could pave the way for innovative treatments targeting the underlying genetic variants.

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