Focused On-demand Library for Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q8NAT1

UPID:
PMGT2_HUMAN

ALTERNATIVE NAMES:
Extracellular O-linked N-acetylglucosamine transferase-like; Glycosyltransferase-like domain-containing protein 2

ALTERNATIVE UPACC:
Q8NAT1; B3KWC3; Q96SY3

BACKGROUND:
The enzyme Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, known alternatively as Extracellular O-linked N-acetylglucosamine transferase-like, is pivotal in generating N-acetyl-D-glucosamine-beta-1,4-O-D-mannosylprotein. This process is integral to the formation of a specific carbohydrate structure vital for alpha-dystroglycan's function in muscle and brain tissue.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2 could open doors to potential therapeutic strategies for treating muscular dystrophy-dystroglycanopathy congenital with brain and eye anomalies A8 and limb-girdle C8. These diseases underscore the enzyme's significance in neuromuscular development and function.

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