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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

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:

Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, also known as Extracellular O-linked N-acetylglucosamine transferase-like and Glycosyltransferase-like domain-containing protein 2, plays a crucial role in the biosynthesis of phosphorylated O-mannosyl trisaccharide. This carbohydrate structure is essential for alpha-dystroglycan to bind laminin G-like domain-containing extracellular proteins with high affinity.

Therapeutic significance:

The protein is implicated in Muscular dystrophy-dystroglycanopathy congenital with brain and eye anomalies A8 and Muscular dystrophy-dystroglycanopathy limb-girdle C8. These conditions highlight the protein's critical role in muscle and brain development, presenting a target for therapeutic intervention in these muscular dystrophies.