Focused On-demand Library for Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 utilise our cutting-edge, exclusive workflow to develop 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.

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.







Alternative names:

Alpha-2,8-sialyltransferase 8A; Ganglioside GD3 synthase; Ganglioside GT3 synthase; Sialyltransferase 8A; Sialyltransferase St8Sia I

Alternative UPACC:

Q92185; A8K4H6; Q17RL0; Q6PZN5; Q93064


Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase, also known as Alpha-2,8-sialyltransferase 8A, plays a crucial role in the biosynthesis of complex glycosphingolipids, specifically gangliosides GD3, GT3, and others. It catalyzes the addition of sialic acid to ganglioside GM3, influencing the composition of cell membranes and intercellular communication.

Therapeutic significance:

Understanding the role of Alpha-N-acetylneuraminide alpha-2,8-sialyltransferase could open doors to potential therapeutic strategies. Its involvement in synthesizing complex gangliosides, which are altered in various cancers, highlights its potential as a target for cancer therapy.

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