AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Reaxense

upacc

Q9Y223

UPID:

GLCNE_HUMAN

Alternative names:

UDP-GlcNAc-2-epimerase/ManAc kinase

Alternative UPACC:

Q9Y223; A6PZH2; A6PZH3; A7UNU7; B2R6E1; B7Z372; B7Z428; D3DRP7; F5H499; H0YFA7; Q0VA94

Background:

The Bifunctional UDP-N-acetylglucosamine 2-epimerase/N-acetylmannosamine kinase, also known as UDP-GlcNAc-2-epimerase/ManAc kinase, plays a pivotal role in the biosynthesis of N-acetylneuraminic acid (NeuAc), a precursor to sialic acids. These acids are crucial for cell adhesion, signal transduction, and the tumorigenic and metastatic behavior of malignant cells. Its function is essential for early development and normal sialylation in hematopoietic cells.

Therapeutic significance:

The protein's involvement in sialuria and Nonaka myopathy, diseases characterized by developmental delays, muscle weakness, and abnormal sialic acid metabolism, underscores its therapeutic potential. Targeting the protein's activity could lead to innovative treatments for these genetic disorders.

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