Focused On-demand Library for Glucosamine 6-phosphate N-acetyltransferase

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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 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.


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
Receptor.AI
 
UPACC
Q96EK6

UPID:
GNA1_HUMAN

ALTERNATIVE NAMES:
Phosphoglucosamine acetylase; Phosphoglucosamine transacetylase

ALTERNATIVE UPACC:
Q96EK6

BACKGROUND:
Glucosamine 6-phosphate N-acetyltransferase, identified by the alternative names Phosphoglucosamine acetylase and Phosphoglucosamine transacetylase, is pivotal in the metabolic pathway of amino sugars. It is responsible for acetylating glucosamine 6-phosphate, facilitating the production of UDP-GlcNAc, crucial for cell wall biosynthesis and other cellular functions.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Rhizomelic dysplasia, Ain-Naz type, a disorder characterized by skeletal abnormalities, Glucosamine 6-phosphate N-acetyltransferase represents a promising target for therapeutic intervention. Exploring its function further could lead to novel treatments for this and potentially other related diseases.

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