Focused On-demand Library for UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

upacc

Q9H3H5

UPID:

GPT_HUMAN

Alternative names:

GlcNAc-1-P transferase; N-acetylglucosamine-1-phosphate transferase

Alternative UPACC:

Q9H3H5; O15216; Q86WV9; Q9BWE6

Background:

UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, also known as GlcNAc-1-P transferase, plays a pivotal role in the N-linked protein glycosylation pathway. It catalyzes the transfer of GlcNAc-1-P from UDP-GlcNAc onto dolichyl phosphate, a crucial step in dolichol-linked oligosaccharide biosynthesis.

Therapeutic significance:

The protein is implicated in congenital disorders of glycosylation 1J and congenital myasthenic syndrome, 13, highlighting its critical role in embryonic development and neuromuscular transmission. Understanding the role of UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase could open doors to potential therapeutic strategies.