Focused On-demand Library for Phosphoacetylglucosamine mutase

Focused On-demand Libraries - Reaxense 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 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.

We use our state-of-the-art dedicated workflow for designing focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O95394

UPID:

AGM1_HUMAN

Alternative names:

Acetylglucosamine phosphomutase; N-acetylglucosamine-phosphate mutase; Phosphoglucomutase-3

Alternative UPACC:

O95394; B2RB65; B4DX94; D6RF12; E1P547; E9PF86; Q5JWR4; Q96J46; Q9H8G5; Q9NS94; Q9NTT6; Q9UFV5; Q9UIY2

Background:

Phosphoacetylglucosamine mutase, also known as Acetylglucosamine phosphomutase, plays a pivotal role in the synthesis of UDP-GlcNAc, a crucial sugar nucleotide for glycosylation processes. This enzyme catalyzes the transformation of GlcNAc-6-P to GlcNAc-1-P, facilitating protein N- and O-glycosylation, essential for proper cellular function.

Therapeutic significance:

Linked to Immunodeficiency 23, characterized by recurrent infections, severe atopy, and cognitive challenges, this protein's dysfunction underscores its therapeutic potential. Understanding its role could unveil novel strategies for treating this primary immunodeficiency syndrome.