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

Details

Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 screening 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 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
Receptor.AI
 
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, known alternatively as N-glycanase 1, is pivotal in the degradation pathway of misfolded glycoproteins. By cleaving specific glycan structures, it facilitates the recognition and elimination of defective proteins, thus maintaining protein quality control within the cell. Its activity is essential for the disposal of proteins that could otherwise accumulate and cause cellular dysfunction.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Congenital disorder of deglycosylation 1, characterized by severe neurological and physiological manifestations, Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase represents a key target for therapeutic intervention. Exploring its function and the pathways it influences could lead to groundbreaking therapies for this and related disorders.

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