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

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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

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.